SCHEMBL25581296

SCHEMBL25581296

COC(=O)Nc1cccc2c(-c3nc(NC[C@@H]4CCCC[C@H]4CN(C)C)ncc3C(F)(F)F)c[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 16/20 0.47
▸ CDK12 Q9NYV4 16/20 0.47
▸ CCNT1 O60563 15/20 0.47
▸ CDK9 P50750 15/20 0.47
▸ CCNE1 P24864 13/20 0.47
▸ CDK2 P24941 13/20 0.47
▸ JAK1 P23458 2/20 0.47
▸ CDK7 P50613 7/20 0.45
▸ CCNH P51946 7/20 0.45
▸ MNAT1 P51948 5/20 0.45

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
SCHEMBL25581300 1.00 CCNK (0.47) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25581298 1.00 CCNK (0.47) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25581295 1.00 CCNK (0.47) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25581059 0.85 CCNT1 (0.51) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25581057 0.85 CCNT1 (0.51) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25580832 0.85 CCNT1 (0.51) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25580824 0.85 CDK7 (0.51) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25580809 0.84 JAK1 (0.46) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25581294 0.84 CCNT1 (0.54) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25580806 0.83 JAK1 (0.45) CCNKCDK12CCNT1CDK9CCNE1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023078451-A1 COMPOUND USED AS CDK7 KINASE INHIBITOR AND USE THEREOF 浙江同源康医药股份有限公司 2023-05-11 — — WO disclosed
Send feedback