SCHEMBL8304260

SCHEMBL8304260

CSc1nccc(-c2nc(C3CCC(=O)CC3)[nH]c2-c2ccc(F)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 3/20 0.47
CSNK1A1 P48729 1/20 0.47
RPS6KA3 P51812 1/20 0.47
MAPK14 Q16539 17/20 0.47
JAK3 P52333 1/20 0.47
MAPK13 O15264 4/20 0.47
MAPK12 P53778 4/20 0.47
MAPK11 Q15759 4/20 0.47
RAF1 P04049 3/20 0.47
MAPK9 P45984 3/20 0.47
GSK3B P49841 5/20 0.43
GSK3A P49840 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CSNK1E P49674 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40

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
SCHEMBL4583956 0.92 MAPK14 (0.57) CSNK1DCSNK1A1RPS6KA3MAPK14JAK3
SCHEMBL4584925 0.80 MAPK14 (0.61) CSNK1DCSNK1A1RPS6KA3MAPK14JAK3
SCHEMBL4585060 0.79 MAPK14 (0.60) CSNK1DCSNK1A1RPS6KA3MAPK14JAK3
SCHEMBL6950701 0.79 MAPK14 (0.60) CSNK1DCSNK1A1RPS6KA3MAPK14JAK3
SCHEMBL4585443 0.78 MAPK14 (0.57) CSNK1DCSNK1A1RPS6KA3MAPK14JAK3
SCHEMBL4584826 0.76 CSNK1D (0.50) CSNK1DCSNK1A1RPS6KA3MAPK14JAK3
SCHEMBL4585063 0.76 MAPK14 (0.58) CSNK1DCSNK1A1RPS6KA3MAPK14MAPK13
SCHEMBL4585062 0.76 MAPK14 (0.50) CSNK1DCSNK1A1RPS6KA3MAPK14MAPK13
SCHEMBL4583203 0.74 MAPK14 (0.52) CSNK1DCSNK1A1RPS6KA3MAPK14MAPK13
SCHEMBL4915940 0.73 MAPK14 (0.73) CSNK1DCSNK1A1MAPK14MAPK13MAPK12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889726-A4 NOVEL CYCLOALKYL SUBSTITUTED IMIDAZOLES SMITHKLINE BEECHAM CORP (US) 1999-07-21 EP claimed
EP-0889726-A1 NOVEL CYCLOALKYL SUBSTITUTED IMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 1999-01-13 EP claimed
WO-1997025048-A1 NOVEL CYCLOALKYL SUBSTITUTED IMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 1997-07-17 WO claimed