The major cause of death around the world is cardiovascular disease, while cancer ranks second. Lung cancer stands out as a major cause of concern because it accounts for 12% of all cancer cases and is the leading cause of cancer-related death. Since prehistoric times, humans have relied on plants as a reliable resource for all three of these essentials: food, livestock, and healthcare. When it comes to treating human illness, plants have been relied on extensively. Researchers are becoming increasingly intrigued by the prospect of deciphering plant chemistry. The Alliaceae plant family has yielded many novel phytochemicals. To identify a potent phytocompound against lung cancer from the plant Allium tuberosum Rottler ex Spreng, gas chromatography-mass spectrometry (GC-MS) and liquid chromatography-mass spectrometry (LC-MS) were performed. Before that, total phenolic content (TPC), total flavonoid content (TFC), and DDPH free radicals scavenging activity were determined in order to select the best plant extract. Four targets for non-small cell lung cancer (NSCLC) were retrieved in mutated form by literature mining to carry out this work. EGFR and B-Raf were selected as cell proliferating proteins and K-Ras and PI3K were selected as antiapoptotic proteins. Molecular docking was performed against these targets with the 94 phytocompounds present in Allium tuberosum, which were identified by GC-MS and LC-MS. Chemical absorption, distribution, metabolism, excretion, and toxicity (ADMET) profiling was also conducted with the nine best-screened compounds. Americine, an alkaloid from this plant, showed inhibitory activity against all four selected targets and was bound more strongly than their respective positive controls in docking studies amongst all other phytocompounds. The ADMET study also confirmed the drug-like candidature of the compound. This study reveals the alternative therapeutic potential of americine against NSCLC by promoting apoptosis and inhibiting cell proliferation.