SCHEMBL5771615

SCHEMBL5771615

CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3nc(C4CCCCC4)[nH]c3-c3ccc(F)cc3)cc21

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.73
CYP3A4 P08684 10/20 0.70

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
SCHEMBL5770988 0.92 MAPK14 (0.77) MAPK14CYP3A4
SCHEMBL5772014 0.92 MAPK14 (0.85) MAPK14CYP3A4
SCHEMBL5774372 0.92 MAPK14 (0.71) MAPK14CYP3A4
SCHEMBL5772433 0.89 MAPK14 (0.87) MAPK14CYP3A4
Trifluoroacetic Acid SCHEMBL4830239 0.87 MAPK14 (0.80) MAPK14CYP3A4
SCHEMBL4839213 0.85 MAPK14 (0.62) MAPK14CYP3A4
SCHEMBL4837413 0.84 MAPK14 (1.00) MAPK14CYP3A4
SCHEMBL5771391 0.84 MAPK14 (0.83) MAPK14CYP3A4
SCHEMBL5771793 0.84 MAPK14 (0.83) MAPK14CYP3A4
SCHEMBL4830299 0.83 MAPK14 (1.00) 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