SCHEMBL4974673

SCHEMBL4974673

Cc1onc(-c2ccccc2)c1-c1c[nH]c(-c2cccc(C(=O)NC3CC3)c2)n1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.51
MAPK8 P45983 1/20 0.51
GABRA5 P31644 16/20 0.47

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
SCHEMBL4972135 0.96 GABRA5 (0.49) MAPK14MAPK8GABRA5
SCHEMBL4973866 0.96 GABRA5 (0.49) MAPK14MAPK8GABRA5
SCHEMBL4973798 0.95 GABRA5 (0.53) MAPK14MAPK8GABRA5
SCHEMBL4971806 0.92 GABRA5 (0.53) MAPK14MAPK8GABRA5
SCHEMBL4973220 0.92 MAPK14 (0.52) MAPK14MAPK8GABRA5
SCHEMBL4972209 0.89 GABRA5 (0.50) MAPK14MAPK8GABRA5
SCHEMBL4973770 0.89 GABRA5 (0.50) MAPK14MAPK8GABRA5
SCHEMBL4971009 0.88 GABRA5 (0.51) MAPK14MAPK8GABRA5
SCHEMBL4971711 0.88 GABRA5 (0.51) MAPK14MAPK8GABRA5
SCHEMBL4970995 0.87 GABRA5 (0.56) GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968973-A2 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2008-09-17 EP claimed
WO-2007074078-A2 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-07-05 WO claimed
EP-1968973-A2 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2008-09-17 EP disclosed
WO-2007074078-A2 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-07-05 WO disclosed