SCHEMBL13797964

SCHEMBL13797964

COc1c(NC(=O)c2cc3cccc(NC(=O)c4ccc(NCC5CC5)nc4)c3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ LYN P07948 1/20 0.82
▸ MAPK9 P45984 1/20 0.82
▸ MAPK14 Q16539 3/20 0.54
▸ BRAF P15056 16/20 0.44

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
SCHEMBL13359165 0.97 LYN (0.79) LYNMAPK9MAPK14BRAF
SCHEMBL13797963 0.90 LYN (0.79) LYNMAPK9MAPK14BRAF
SCHEMBL3255234 0.90 LYN (1.00) LYNMAPK9MAPK14BRAF
SCHEMBL13797965 0.89 LYN (0.84) LYNMAPK9MAPK14BRAF
SCHEMBL13797971 0.88 LYN (0.76) LYNMAPK9MAPK14BRAF
SCHEMBL13797960 0.87 LYN (0.74) LYNMAPK9MAPK14BRAF
SCHEMBL3257330 0.87 LYN (0.74) LYNMAPK9MAPK14BRAF
SCHEMBL13798004 0.87 LYN (0.74) LYNMAPK9MAPK14BRAF
SCHEMBL13797976 0.87 LYN (0.80) LYNMAPK9MAPK14BRAF
SCHEMBL13359289 0.86 LYN (0.60) LYNMAPK9MAPK14BRAF

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 2 patents. 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
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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