SCHEMBL5773698

SCHEMBL5773698

CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3nc(-c4cccc(F)c4F)[nH]c3-c3ccccc3)cc21

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.82
CYP3A4 P08684 4/20 0.82

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
SCHEMBL5771924 0.91 MAPK14 (0.79) MAPK14CYP3A4
SCHEMBL4838574 0.91 MAPK14 (1.00) MAPK14CYP3A4
SCHEMBL4830342 0.88 MAPK14 (0.77) MAPK14CYP3A4
SCHEMBL5774408 0.88 MAPK14 (0.77) MAPK14CYP3A4
SCHEMBL5771483 0.87 MAPK14 (0.91) MAPK14CYP3A4
SCHEMBL5768424 0.87 MAPK14 (0.84) MAPK14CYP3A4
SCHEMBL13739747 0.87 MAPK14 (0.93) MAPK14CYP3A4
Alcohol SCHEMBL4841776 0.87 MAPK14 (0.92) MAPK14CYP3A4
SCHEMBL5771607 0.86 MAPK14 (1.00) MAPK14CYP3A4
SCHEMBL5769486 0.86 MAPK14 (0.79) 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