SCHEMBL24669236

SCHEMBL24669236

CS(=O)(=O)c1ncc2ccc(=O)n(CCS(=O)(=O)O)c2n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 19/20 0.43
CCND1 P24385 19/20 0.43
CCND2 P30279 19/20 0.43
CCND3 P30281 19/20 0.43
CCNB2 O95067 3/20 0.41
CCNE2 O96020 3/20 0.41
CDK1 P06493 3/20 0.41
FGFR1 P11362 3/20 0.41
CCNB1 P14635 3/20 0.41
CCNA2 P20248 3/20 0.41
FGFR2 P21802 3/20 0.41
FGFR4 P22455 3/20 0.41
FGFR3 P22607 3/20 0.41
CCNE1 P24864 3/20 0.41
CDK2 P24941 3/20 0.41
CCNA1 P78396 3/20 0.41
CCNB3 Q8WWL7 3/20 0.41
SRC P12931 1/20 0.38
JAK3 P52333 1/20 0.35

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
SCHEMBL24669215 0.93 CDK4 (0.43) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL23413876 0.84 CDK4 (0.45) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL29980415 0.84 CDK4 (0.45) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL5264344 0.82 CDK4 (0.58) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL24668737 0.81 CDK4 (0.42) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL30718894 0.80 CCND1 (0.44) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL23142022 0.80 CCND1 (0.44) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL24669789 0.79 CDK4 (0.37) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL23141673 0.79 CDK4 (0.46) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL27299700 0.78 CDK4 (0.45) CDK4CCND1CCND2CCND3CCNB2

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-2022187693-A1 COVALENT CDK2-BINDING COMPOUNDS FOR THERAPEUTIC PURPOSES UMBRA THERAPEUTICS INC. (US) 2022-09-09 WO disclosed