Aim. 9,10–Anthraquinone derivatives are considered as anticancer agents due to their structural versatility and ability to target multiple pathways involved in the cancer cell survival and proliferation. The aim of our work was to identify novel anticancer compounds among anthra[1,2–d][1,2,3]triazine–4,7,12(3H)–triones 22–38 obtained by us earlier [1] using in silico methods and experimental in vitro study. Conclusions. The results of the pdCSM–cancer prediction for anthra[1,2–d][1,2,3]triazine–4,7,12(3H)–triones derivatives were confirmed in the experiments. A promising anthratriazinone derivative was proposed for in–depth studies against melanoma as a potential MEK–1 inhibitor.