SCHEMBL29980415

SCHEMBL29980415

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.45
CCND1 P24385 20/20 0.45
CCND2 P30279 20/20 0.45
CCND3 P30281 20/20 0.45
CCNB2 O95067 3/20 0.43
CCNE2 O96020 3/20 0.43
CDK1 P06493 3/20 0.43
FGFR1 P11362 3/20 0.43
CCNB1 P14635 3/20 0.43
CCNA2 P20248 3/20 0.43
FGFR2 P21802 3/20 0.43
FGFR4 P22455 3/20 0.43
FGFR3 P22607 3/20 0.43
CCNE1 P24864 3/20 0.43
CDK2 P24941 3/20 0.43
CCNA1 P78396 3/20 0.43
CCNB3 Q8WWL7 3/20 0.43
SRC P12931 1/20 0.39

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
SCHEMBL23413876 1.00 CDK4 (0.45) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL5264344 0.85 CDK4 (0.58) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL24669236 0.84 CDK4 (0.43) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL24669215 0.82 CDK4 (0.43) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL23142071 0.82 CDK4 (0.59) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL23141673 0.81 CDK4 (0.46) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL27299700 0.80 CDK4 (0.45) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL5263563 0.80 CDK4 (0.50) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL30690905 0.80 CDK4 (0.50) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL23544830 0.79 JAK3 (0.42) 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
EP-4065578-A1 FUSED PYRIMIDINE PYRIDINONE COMPOUNDS AS JAK INHIBITORS Theravance Biopharma R&D IP, LLC (US) 2022-10-05 EP disclosed