SCHEMBL5771854

SCHEMBL5771854

CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3nc(-c4ccc(F)cc4F)[nH]c3-c3ccc(F)cc3F)cc21

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.83
CYP3A4 P08684 8/20 0.66

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
SCHEMBL5774408 0.93 MAPK14 (0.77) MAPK14CYP3A4
SCHEMBL5772247 0.91 MAPK14 (1.00) MAPK14CYP3A4
SCHEMBL4833416 0.88 MAPK14 (1.00) MAPK14CYP3A4
SCHEMBL4830342 0.86 MAPK14 (0.77) MAPK14CYP3A4
SCHEMBL18041883 0.85 MAPK14 (0.81) MAPK14CYP3A4
SCHEMBL5774526 0.85 MAPK14 (0.75) MAPK14CYP3A4
SCHEMBL5769994 0.84 MAPK14 (0.74) MAPK14CYP3A4
SCHEMBL5770448 0.83 MAPK14 (0.75) MAPK14CYP3A4
SCHEMBL5770897 0.83 MAPK14 (0.90) MAPK14CYP3A4
SCHEMBL5773081 0.82 MAPK14 (0.76) 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