New Anellated Thieno[2,3‐e][1,2,3]triazolo[1,5‐a]pyrimidines, with Potent Anticancer Activity, Designed Through VLAK Protocol.

A variety of new annelated thienotriazolopyrimidine derivatives with antitumor activity up to sub-micromolar concentration are designed by combined use of the chemometric protocol Virtual Lock-and-Key (VLAK) and optimized synthetic procedures.