SCHEMBL25581372

SCHEMBL25581372

COC(=O)Nc1ccc2c(-c3nc(NC[C@@H]4CCNC4)ncc3C(F)(F)F)c[nH]c2c1Br

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 19/20 0.47
▸ CDK12 Q9NYV4 19/20 0.47
▸ CCNT1 O60563 18/20 0.47
▸ CDK9 P50750 18/20 0.47
▸ CDK7 P50613 8/20 0.47
▸ CCNH P51946 8/20 0.47
▸ MNAT1 P51948 5/20 0.47
▸ CCNE1 P24864 17/20 0.46
▸ CDK2 P24941 17/20 0.46

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
SCHEMBL25581373 1.00 CCNK (0.47) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25581366 0.96 CCNT1 (0.44) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25581444 0.94 CDK7 (0.44) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25581055 0.90 CCNT1 (0.53) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25580835 0.90 CCNT1 (0.53) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25581455 0.89 CCNK (0.49) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25581457 0.89 CCNK (0.49) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25595180 0.87 CCNT1 (0.60) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL26325167 0.87 CCNT1 (0.60) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25591583 0.87 CCNT1 (0.60) CCNKCDK12CCNT1CDK9CDK7

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