In this study, we employed an HTVS, SP and XP-based molecular docking and MM/GBSA calculations to identify a potential multitargeted drug candidate from the DrugBank library against five key (Penta) lung cancer-associated proteins, including CDK2 (1AQ1), Transferase(1JWH, 1K3A), Oxidoreductase (4XZL) and Signalling (2DVJ) enzymes that led to the identification of Otamixaban, exhibiting favourable docking and MM/GBSA scores ranging from -11.841 to -6.52, and -69.96 to -45.22 kcal/mol. This evidence concerns the gene CDK2 and lung cancer.