SCHEMBL31587173

SCHEMBL31587173

Cc1ccnc(-n2ccc(CC(=O)Nc3cc(C4CC4)[nH]n3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 20/20 0.53
▸ CCNE1 P24864 9/20 0.53
▸ CCNA2 P20248 10/20 0.52
▸ CCNA1 P78396 10/20 0.52
▸ GSK3B P49841 3/20 0.48
▸ CDK5 Q00535 2/20 0.47
▸ CCNB2 O95067 1/20 0.47
▸ CCNE2 O96020 1/20 0.47
▸ CDK1 P06493 1/20 0.47
▸ CCNB1 P14635 1/20 0.47
▸ CDK5R1 Q15078 1/20 0.47
▸ CCNB3 Q8WWL7 1/20 0.47
▸ CDK9 P50750 1/20 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
SCHEMBL31587183 0.89 CDK2 (0.53) CDK2CCNE1CCNA2CCNA1GSK3B
SCHEMBL31587348 0.87 CDK2 (0.58) CDK2CCNE1CCNA2CCNA1GSK3B
SCHEMBL31586964 0.84 CDK2 (0.60) CDK2CCNE1CCNA2CCNA1GSK3B
SCHEMBL31587008 0.83 CDK2 (0.38) CDK2CCNE1CCNA2CCNA1GSK3B
SCHEMBL31587329 0.83 CDK2 (0.53) CDK2CCNE1CCNA2CCNA1GSK3B
SCHEMBL31587358 0.83 CDK2 (0.53) CDK2CCNE1CCNA2CCNA1GSK3B
SCHEMBL31517469 0.83 CDK2 (0.56) CDK2CCNE1CCNA2CCNA1GSK3B
SCHEMBL31586916 0.83 CDK2 (0.54) CDK2CCNE1CCNA2CCNA1GSK3B
SCHEMBL31587192 0.81 CDK2 (0.50) CDK2CCNE1CCNA2CCNA1GSK3B
SCHEMBL31587237 0.80 CDK2 (0.52) CDK2CCNE1CCNA2CCNA1GSK3B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025104236-A1 PYRAZOLE COMPOUNDS AS CULLIN RING UBIQUITIN LIGASE COMPOUNDS PROXYGEN GMBH (AT) 2025-05-22 — — WO claimed
WO-2025104236-A1 PYRAZOLE COMPOUNDS AS CULLIN RING UBIQUITIN LIGASE COMPOUNDS PROXYGEN GMBH (AT) 2025-05-22 — — WO disclosed
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