SCHEMBL29980217

SCHEMBL29980217

CSc1ncc2ccc(=O)n(CCCl)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 19/20 0.46
CCND1 P24385 19/20 0.46
CCND2 P30279 19/20 0.46
CCND3 P30281 19/20 0.46
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 0.40
PIM1 P11309 1/20 0.38
TTK P33981 1/20 0.38

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
SCHEMBL23414000 1.00 CDK4 (0.46) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL29980218 1.00 CDK4 (0.46) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL6812598 0.87 CDK4 (0.56) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL23413922 0.86 PIM1 (0.51) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL24668741 0.86 CDK4 (0.46) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL6808164 0.85 CDK4 (0.58) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL24668730 0.84 CDK4 (0.42) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL29847535 0.84 CDK4 (0.59) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL7506191 0.84 CDK4 (0.54) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL24668737 0.82 CDK4 (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