SCHEMBL31503262

SCHEMBL31503262

O=C1CCC(c2cc(NC(=O)OCc3ccccc3)n[nH]2)C1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.54
CCNA2 P20248 13/20 0.54
CCNA1 P78396 13/20 0.54
USP30 Q70CQ3 2/20 0.53
CCNE1 P24864 3/20 0.46
CDK5 Q00535 2/20 0.46
CDK5R1 Q15078 2/20 0.46
CDK9 P50750 1/20 0.46
CCNB2 O95067 1/20 0.44
CCNE2 O96020 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
GSK3B P49841 1/20 0.43

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
SCHEMBL31413612 0.82 CDK2 (0.57) CDK2CCNA2CCNA1USP30CCNE1
SCHEMBL31503503 0.77 CCNE1 (0.49) CDK2CCNE1GSK3B
SCHEMBL31562196 0.77 CDK2 (0.67) CDK2CCNE1GSK3B
SCHEMBL31562644 0.76 CDK2 (0.66) CDK2CCNE1GSK3B
SCHEMBL31562440 0.76 CDK2 (0.59) CDK2CCNE1GSK3B
SCHEMBL31562342 0.76 CDK2 (0.66) CDK2CCNE1GSK3B
SCHEMBL31562316 0.76 CDK2 (0.66) CDK2CCNE1GSK3B
SCHEMBL2635237 0.76 KDM1A (0.60)
SCHEMBL31562568 0.75 CDK2 (0.61) CDK2CCNE1GSK3B
SCHEMBL31562420 0.75 CDK2 (0.67) CDK2CCNE1GSK3B

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-2025062334-A1 4-((5-(3-(4-(PYRIDIN-2-YL)CYCLOPENTYL)-1 H-PYRAZOL-3-YL)AMINO)-BENZENESULFONAMIDE DERIVATIVES AND SIMILAR COMPOUNDS AS CDK INHIBITORS FOR THE TREATMENT OF CANCER BEIGENE SWITZERLAND GMBH (CH) 2025-03-27 WO disclosed