SCHEMBL26043151

SCHEMBL26043151

CN(CCCOCCN)c1ccc2c(-c3nc(NC4CCCC4)ncc3C(F)(F)F)c[nH]c2c1P(C)(C)=O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 17/20 0.52
▸ CDK12 Q9NYV4 17/20 0.52
▸ CCNT1 O60563 16/20 0.52
▸ CDK9 P50750 16/20 0.52
▸ CCNE1 P24864 14/20 0.52
▸ CDK2 P24941 14/20 0.52
▸ CDK7 P50613 12/20 0.52
▸ CCNH P51946 12/20 0.52
▸ MNAT1 P51948 8/20 0.51
▸ CYP2D6 P10635 1/20 0.51

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
SCHEMBL26043166 0.93 CCNK (0.51) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL26043150 0.89 CCNK (0.54) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL26043154 0.88 CCNK (0.54) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL26043159 0.88 CCNK (0.53) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL26043294 0.87 CCNK (0.54) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL26043161 0.86 CCNK (0.52) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL26043157 0.85 CCNK (0.52) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL26043158 0.84 CCNK (0.51) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL26043152 0.84 CCNK (0.52) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL26043165 0.81 CCNK (0.54) 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-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
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