SCHEMBL4469245

SCHEMBL4469245

CSc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(COS(C)(=O)=O)ccn23)n1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.56
CCNA2 P20248 1/20 0.52
CDK2 P24941 1/20 0.52
CSNK1E P49674 1/20 0.52
CDK5 Q00535 1/20 0.52
CDK5R1 Q15078 1/20 0.52

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
SCHEMBL13920968 0.84 MAPK14 (0.60) MAPK14CCNA2CDK2CSNK1ECDK5
SCHEMBL14561003 0.82
SCHEMBL4476329 0.82 MAPK14 (0.57) MAPK14CCNA2CDK2CSNK1ECDK5
SCHEMBL4471008 0.79 MAPK14 (0.60) MAPK14CCNA2CDK2CSNK1ECDK5
SCHEMBL14561793 0.76
SCHEMBL14560997 0.75
SCHEMBL3520464 0.75 CDK2 (0.67) MAPK14CCNA2CDK2CSNK1ECDK5
SCHEMBL4471049 0.74
SCHEMBL4458202 0.74 MAPK14 (0.58) MAPK14CCNA2CDK2CSNK1ECDK5
SCHEMBL14561548 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504501-B2 Antiprotozoal imidazopyridine compounds MERIAL LIMITED (US) 2009-03-17 US disclosed
US-7504501-B2 Antiprotozoal imidazopyridine compounds MERIAL LIMITED (US) 2009-03-17 US disclosed