SCHEMBL5771483

SCHEMBL5771483

CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3nc(-c4ccccc4)[nH]c3-c3ccccc3)cc21

nearest known ligand 0.91

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.91
CYP3A4 P08684 6/20 0.81

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
SCHEMBL4839556 0.97 MAPK14 (0.86) MAPK14CYP3A4
SCHEMBL5768576 0.95 MAPK14 (1.00) MAPK14CYP3A4
SCHEMBL5774501 0.95 MAPK14 (1.00) MAPK14CYP3A4
SCHEMBL5769869 0.94 MAPK14 (0.80) MAPK14CYP3A4
SCHEMBL5769616 0.94 MAPK14 (0.80) MAPK14CYP3A4
SCHEMBL5772724 0.93 MAPK14 (0.82) MAPK14CYP3A4
SCHEMBL5769486 0.93 MAPK14 (0.79) MAPK14CYP3A4
SCHEMBL4840145 0.92 MAPK14 (0.78) MAPK14CYP3A4
SCHEMBL5773153 0.92 MAPK14 (0.78) MAPK14CYP3A4
SCHEMBL5770805 0.92 MAPK14 (0.86) MAPK14CYP3A4

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