SCHEMBL13797997

SCHEMBL13797997

COc1c(NC(=O)c2cc3cc(Cl)cc(C)c3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 5/20 0.65
▸ LYN P07948 1/20 0.53
▸ MAPK9 P45984 1/20 0.53
▸ BRAF P15056 14/20 0.46

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
SCHEMBL13798000 0.90 MAPK14 (0.64) MAPK14LYNMAPK9BRAF
SCHEMBL13797955 0.90 MAPK14 (0.64) MAPK14LYNMAPK9BRAF
SCHEMBL13811032 0.88 MAPK14 (0.61) MAPK14LYNMAPK9BRAF
SCHEMBL13359213 0.87 MAPK14 (0.60) MAPK14LYNMAPK9BRAF
SCHEMBL13797993 0.86 MAPK14 (0.74) MAPK14LYNMAPK9BRAF
SCHEMBL13359122 0.83 MAPK14 (0.73) MAPK14LYNMAPK9BRAF
SCHEMBL13797998 0.82 MAPK14 (0.61) MAPK14LYNMAPK9BRAF
SCHEMBL13797938 0.79 MAPK14 (0.73) MAPK14LYNMAPK9BRAF
SCHEMBL4001894 0.79 MAPK14 (0.73) MAPK14LYNMAPK9BRAF
SCHEMBL13797943 0.79 MAPK14 (0.72) MAPK14LYNMAPK9BRAF

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
US-7550461-B2 Benzofuran and benzothiophene compounds useful in treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 — — US disclosed
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