SCHEMBL29492498

SCHEMBL29492498

CC(C)(C)OC(=O)N1CCC[C@H](Nc2ncc(C(F)(F)F)c(-c3c[nH]c4c(NS(C)(=O)=O)cccc34)n2)C1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 17/20 0.57
▸ CDK12 Q9NYV4 16/20 0.57
▸ CCNT1 O60563 14/20 0.57
▸ CDK9 P50750 14/20 0.57
▸ CDK2 P24941 14/20 0.57
▸ CCNE1 P24864 13/20 0.57
▸ CDK7 P50613 8/20 0.57
▸ CCNH P51946 8/20 0.57
▸ MNAT1 P51948 6/20 0.53
▸ CCNA2 P20248 1/20 0.49
▸ CDK13 Q14004 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29492560 0.91 CCNK (0.53) CCNKCDK12CCNT1CDK9CDK2
SCHEMBL29492509 0.90 CCNK (0.63) CCNKCDK12CCNT1CDK9CDK2
SCHEMBL27121866 0.90 CCNK (0.63) CCNKCDK12CCNT1CDK9CDK2
SCHEMBL25593261 0.90 CCNK (0.63) CCNKCDK12CCNT1CDK9CDK2
SCHEMBL25582183 0.90 CCNK (0.54) CCNKCDK12CCNT1CDK9CDK2
SCHEMBL24588967 0.88 CCNK (0.67) CCNKCDK12CCNT1CDK9CDK2
SCHEMBL25593295 0.88 CCNK (0.64) CCNKCDK12CCNT1CDK9CDK2
SCHEMBL29492494 0.87 CCNK (0.52) CCNKCDK12CCNT1CDK9CDK2
SCHEMBL25593648 0.87 CCNK (0.66) CCNKCDK12CCNT1CDK9CDK2
SCHEMBL25594125 0.87 CCNK (0.66) CCNKCDK12CCNT1CDK9CDK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022063212-A1 PYRIMIDYL DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 广州费米子科技有限责任公司 2022-03-31 — — WO disclosed
CN-114249712-A Pyrimidinyl derivatives, method for the production thereof and use thereof 广州费米子科技有限责任公司 2022-03-29 — — CN disclosed
Send feedback