SCHEMBL31588043

SCHEMBL31588043

O=C(Cc1ccn(-c2cnc(Cl)s2)n1)Nc1cc(C2CC2)n[nH]1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 3/20 0.35
▸ CDK2 P24941 11/20 0.34
▸ CCNE1 P24864 10/20 0.34
▸ CRACR2A Q9BSW2 1/20 0.34
▸ GLS O94925 2/20 0.33
▸ GSK3B P49841 5/20 0.33
▸ CDK13 Q14004 2/20 0.33
▸ CDK12 Q9NYV4 2/20 0.33
▸ CDK7 P50613 1/20 0.33
▸ CACNA1G O43497 1/20 0.33
▸ CACNA1H O95180 1/20 0.33
▸ CACNA1I Q9P0X4 1/20 0.33
▸ CCNA2 P20248 1/20 0.31
▸ CCNA1 P78396 1/20 0.31

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
SCHEMBL31587334 0.90 CCNE1 (0.36) CDK2CCNE1GLSGSK3B
SCHEMBL31586737 0.86 AR (0.35) ARCDK2CCNE1CRACR2AGLS
SCHEMBL31587266 0.86 CDK2 (0.34) ARCDK2CCNE1CRACR2AGLS
SCHEMBL31586856 0.84 CDK2 (0.50) CDK2CCNE1GSK3BCDK13CDK12
SCHEMBL31517532 0.83 CDK2 (0.36) CDK2CCNE1GSK3BCDK13CDK12
SCHEMBL31587604 0.83 CCNE1 (0.36) ARCDK2CCNE1CRACR2AGLS
SCHEMBL31587062 0.80 CDK2 (0.37) ARCDK2CCNE1CRACR2AGLS
SCHEMBL31587320 0.80 CCNE1 (0.39) ARCDK2CCNE1CRACR2AGSK3B
SCHEMBL31587991 0.80 CRACR2A (0.38) ARCDK2CCNE1CRACR2AGLS
SCHEMBL31586967 0.80 KCNJ6 (0.41) ARCDK2CCNE1CRACR2ACCNA2

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