SCHEMBL26043873

SCHEMBL26043873

COC(=O)c1ccc2c(-c3nc(Cl)ncc3C(F)(F)F)c[nH]c2c1PC

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 16/20 0.39
CDK2 P24941 16/20 0.39
CCNK O75909 16/20 0.39
CDK12 Q9NYV4 16/20 0.39
CCNT1 O60563 15/20 0.39
CDK9 P50750 15/20 0.39
CDK7 P50613 8/20 0.35
CCNH P51946 8/20 0.35
MNAT1 P51948 5/20 0.35
NR4A2 P43354 1/20 0.34

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
SCHEMBL26043875 0.90 CCNE1 (0.39) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL31122437 0.89 CCNE1 (0.41) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL25363465 0.89 CCNE1 (0.41) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL30260889 0.87 CCNK (0.40) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL30456148 0.84 CCNK (0.44) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL25362594 0.84 CCNK (0.44) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL25597105 0.79 KDM4E (0.45) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL25597137 0.79 CCNK (0.40) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL21178282 0.77 CCNK (0.51) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL30260968 0.77 CCNK (0.51) 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-2023116761-A1 PYRIMIDINE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 英矽智能科技知识产权有限公司 2023-06-29 WO disclosed