SCHEMBL5769574

SCHEMBL5769574

CC(C)S(=O)(=O)n1c(NC(C)(C)C)nc2ccc(C=N)cc21

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 1/20 0.36
MAPK14 Q16539 18/20 0.36
CYP3A4 P08684 9/20 0.36
FABP4 P15090 1/20 0.32

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
SCHEMBL5774393 0.89 MAPK14 (0.38) PI4KBMAPK14CYP3A4
SCHEMBL5767550 0.81 MAPK14 (0.38) PI4KBMAPK14CYP3A4
SCHEMBL5773665 0.81 PI4KB (0.54) PI4KBMAPK14CYP3A4
SCHEMBL5768603 0.81 FGFR2 (0.32) PI4KBMAPK14CYP3A4
SCHEMBL5774512 0.80 ALDH1A1 (0.40) PI4KBMAPK14
SCHEMBL5772303 0.80 PDE4B (0.37) PI4KBMAPK14CYP3A4
SCHEMBL5771593 0.80 PDE4B (0.37) PI4KBMAPK14CYP3A4
SCHEMBL5773723 0.80 MAPK14 (0.41) MAPK14CYP3A4
SCHEMBL5768943 0.78 ALDH1A1 (0.47) MAPK14
SCHEMBL5772161 0.78 PI4KB (0.39) PI4KBMAPK14CYP3A4

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-1554272-B1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE LILLY CO ELI (US) 2006-10-25 EP disclosed