SCHEMBL31587062

SCHEMBL31587062

O=C(Cc1ccn(-c2cscn2)n1)Nc1cc(C2CC2)n[nH]1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 14/20 0.37
▸ CCNE1 P24864 10/20 0.37
▸ GSK3B P49841 4/20 0.35
▸ CRACR2A Q9BSW2 1/20 0.34
▸ CCNA2 P20248 5/20 0.34
▸ CCNA1 P78396 5/20 0.34
▸ P2RX7 Q99572 1/20 0.33
▸ AR P10275 3/20 0.32
▸ GLS O94925 1/20 0.32
▸ CCNB2 O95067 1/20 0.32
▸ CCNE2 O96020 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CCNB1 P14635 1/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ CDK5R1 Q15078 1/20 0.32
▸ CCNB3 Q8WWL7 1/20 0.32

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
SCHEMBL31587358 0.84 CDK2 (0.53) CDK2CCNE1GSK3BCCNA2CCNA1
SCHEMBL31587024 0.84 CRACR2A (0.44) CDK2CCNE1GSK3BCRACR2ACCNA2
SCHEMBL31587731 0.83 CCNE1 (0.39) CDK2CCNE1GSK3BGLS
SCHEMBL31587320 0.83 CCNE1 (0.39) CDK2CCNE1GSK3BCRACR2AP2RX7
SCHEMBL31587008 0.82 CDK2 (0.38) CDK2CCNE1GSK3BCRACR2ACCNA2
SCHEMBL31587153 0.81 CDK2 (0.36) CDK2CCNE1GSK3BCRACR2ACCNA2
SCHEMBL31586737 0.81 AR (0.35) CDK2CCNE1GSK3BCRACR2ACCNA2
SCHEMBL31587266 0.81 CDK2 (0.34) CDK2CCNE1GSK3BCRACR2ACCNA2
SCHEMBL31587991 0.81 CRACR2A (0.38) CDK2CCNE1GSK3BCRACR2ACCNA2
SCHEMBL31587181 0.80 CDK2 (0.38) CDK2CCNE1GSK3BCRACR2ACCNA2

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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