SCHEMBL25581352

SCHEMBL25581352

CNCCNc1ncc(C(F)(F)F)c(-c2c[nH]c3c(C(F)(F)F)c(NC(=O)OC)ccc23)n1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 17/20 0.41
▸ CDK2 P24941 17/20 0.41
▸ CCNK O75909 17/20 0.41
▸ CDK12 Q9NYV4 17/20 0.41
▸ CCNT1 O60563 15/20 0.41
▸ CDK9 P50750 15/20 0.41
▸ CDK7 P50613 9/20 0.39
▸ CCNH P51946 9/20 0.39
▸ MNAT1 P51948 6/20 0.39

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
SCHEMBL25581348 0.92 CCNK (0.39) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL25581350 0.90 CCNK (0.39) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL25580804 0.90 CCNE1 (0.47) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL25596598 0.90 CCNE1 (0.44) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL25581351 0.89 LCK (0.39) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL25581354 0.88 LCK (0.41) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL25583323 0.87 CDK7 (0.39) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL25581358 0.86 CCNE1 (0.38) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL25583028 0.83 CCNE1 (0.38) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL25581364 0.83 CCNK (0.42) CCNE1CDK2CCNKCDK12CCNT1

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
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