SCHEMBL30456841

SCHEMBL30456841

FC(F)(F)c1cnc(Cl)nc1-c1c[nH]c2c(Cl)cccc12

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 15/20 0.59
CCNK O75909 15/20 0.59
CDK9 P50750 15/20 0.59
CDK12 Q9NYV4 15/20 0.59
CCNE1 P24864 12/20 0.59
CDK2 P24941 12/20 0.59
RPS6KA5 O75582 1/20 0.47
DYRK1A Q13627 2/20 0.46
AR P10275 2/20 0.45
CDK7 P50613 5/20 0.45
CCNH P51946 5/20 0.45
MNAT1 P51948 3/20 0.45

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
SCHEMBL24900464 0.89 CCNT1 (0.48) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL30957488 0.89 CCNT1 (0.48) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL30221492 0.88 CCNT1 (0.57) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL29492558 0.88 CCNT1 (0.57) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL17696390 0.88 CCNT1 (0.57) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL29492561 0.86 CCNT1 (0.46) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL30260809 0.85 CCNT1 (0.45) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL24583141 0.85 CCNT1 (0.46) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL24900426 0.85 DYRK1A (0.47) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL30221346 0.85 DYRK1A (0.47) 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