SCHEMBL31576022

SCHEMBL31576022

Cn1cc2nc(Cl)nc(NCc3ccc(-c4nc(C(F)(F)F)cn4C)cc3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.40
▸ CCNE2 O96020 2/20 0.39
▸ CCNE1 P24864 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ USP1 O94782 16/20 0.39

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
SCHEMBL31575977 0.89 CDK1 (0.41) PDE2ACCNE2CCNE1CDK2CDK1
SCHEMBL30462043 0.85 USP1 (0.46) CCNE2CCNE1CDK2CDK1USP1
SCHEMBL31576077 0.82 USP1 (0.40) USP1
SCHEMBL31576028 0.82 USP1 (0.41) USP1
SCHEMBL30462003 0.82 PDE2A (0.40) PDE2ACCNE2CCNE1CDK2USP1
SCHEMBL31572126 0.81 PDE2A (0.46) PDE2AUSP1
SCHEMBL31138405 0.80 USP1 (0.42) USP1
SCHEMBL27031317 0.80 PDE2A (0.41) PDE2ACCNE2CCNE1CDK2CDK1
SCHEMBL29878982 0.80 PDE2A (0.41) PDE2ACCNE2CCNE1CDK2CDK1
SCHEMBL31575999 0.80 USP1 (0.39) CCNE2CCNE1CDK2CDK1USP1

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-120020133-A Nitrogen-containing heterocyclic derivative and medical application thereof 杭州百新生物医药科技有限公司 2025-05-20 — — CN disclosed
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