SCHEMBL31587181

SCHEMBL31587181

Cc1cccc(-n2ccc(CC(=O)Nc3cc(C4CC4)n[nH]3)n2)n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 16/20 0.38
▸ CCNE1 P24864 11/20 0.38
▸ GSK3B P49841 5/20 0.38
▸ TYK2 P29597 1/20 0.35
▸ CCNA2 P20248 5/20 0.34
▸ CCNA1 P78396 5/20 0.34
▸ CRACR2A Q9BSW2 1/20 0.34
▸ PAK1 Q13153 1/20 0.33
▸ KCNJ6 P48051 1/20 0.33
▸ KCNJ5 P48544 1/20 0.33
▸ KCNJ3 P48549 1/20 0.33
▸ CCNB2 O95067 1/20 0.33
▸ CCNE2 O96020 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ CCNB3 Q8WWL7 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
SCHEMBL31587153 0.90 CDK2 (0.36) CDK2CCNE1GSK3BTYK2CCNA2
SCHEMBL31587024 0.85 CRACR2A (0.44) CDK2CCNE1GSK3BCCNA2CCNA1
SCHEMBL31587731 0.84 CCNE1 (0.39) CDK2CCNE1GSK3BKCNJ6KCNJ3
SCHEMBL31587666 0.84 CDK2 (0.40) CDK2CCNE1TYK2CCNA2CCNA1
SCHEMBL31587008 0.83 CDK2 (0.38) CDK2CCNE1GSK3BCCNA2CCNA1
SCHEMBL31587329 0.83 CDK2 (0.53) CDK2CCNE1GSK3BCCNA2CCNA1
SCHEMBL31517006 0.83 P2RX7 (0.39) CDK2CCNE1GSK3BCCNA2CCNA1
SCHEMBL31587757 0.83 CCNE1 (0.35) CDK2CCNE1GSK3BKCNJ6KCNJ3
SCHEMBL31586967 0.82 KCNJ6 (0.41) CDK2CCNE1CCNA2CCNA1CRACR2A
SCHEMBL31587320 0.80 CCNE1 (0.39) CDK2CCNE1GSK3BCRACR2A

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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