SCHEMBL26044642

SCHEMBL26044642

CP(C)c1c(C(=O)NCC2CC(N)C2)ccc2c(-c3nc(NC4CCCC4)ncc3C(F)(F)F)c[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 16/20 0.51
▸ CCNK O75909 16/20 0.51
▸ CDK9 P50750 16/20 0.51
▸ CDK12 Q9NYV4 16/20 0.51
▸ CCNE1 P24864 15/20 0.51
▸ CDK2 P24941 15/20 0.51
▸ CDK7 P50613 10/20 0.47
▸ CCNH P51946 10/20 0.47
▸ MNAT1 P51948 7/20 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
SCHEMBL26042950 0.89 CCNK (0.52) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL26044271 0.77 CCNK (0.55) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL21184439 0.77 CCNK (0.67) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL26044166 0.75 CCNK (0.52) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL26044163 0.75 CCNK (0.59) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL26045481 0.74 CCNK (0.52) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25362625 0.74 CCNE1 (0.51) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL30456364 0.74 CCNE1 (0.51) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25364596 0.74 CCNK (0.55) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL26045067 0.74 CCNK (0.51) CCNT1CCNKCDK9CDK12CCNE1

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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