SCHEMBL29043902

SCHEMBL29043902

COc1cnc(Cl)nc1NCc1ccc(-c2nc(C(F)F)cn2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCNE2 O96020 1/20 0.41
▸ CCNE1 P24864 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ USP1 O94782 6/20 0.39
▸ WDR48 Q8TAF3 1/20 0.39
▸ PDE5A O76074 3/20 0.35
▸ PDE2A O00408 2/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CXCR4 P61073 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL30461987 1.00 CCNE2 (0.41) CCNE2CCNE1CDK2USP1WDR48
SCHEMBL25978533 0.84 USP1 (0.50) CCNE2CCNE1CDK2USP1MAPT
SCHEMBL31423513 0.78 USP1 (0.42) USP1WDR48
SCHEMBL29043870 0.78 USP1 (0.42) USP1PDE2A
SCHEMBL30462032 0.78 USP1 (0.42) USP1PDE2A
SCHEMBL30462007 0.76 USP1 (0.44) USP1PDE2A
SCHEMBL29043928 0.76 USP1 (0.44) USP1PDE2A
SCHEMBL30462073 0.76 USP1 (0.50) USP1WDR48MAPTTP53
SCHEMBL29043879 0.76 USP1 (0.50) USP1WDR48MAPTTP53
SCHEMBL30462034 0.76 USP1 (0.39) CCNE2CCNE1CDK2USP1WDR48

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
CN-116496252-A Pyrimidine compound, preparation method and medical application thereof 江苏亚虹医药科技股份有限公司 2023-07-28 — — CN disclosed
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