SCHEMBL13797960

SCHEMBL13797960

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

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LYN P07948 1/20 0.74
▸ MAPK9 P45984 1/20 0.74
▸ MAPK14 Q16539 5/20 0.54
▸ BRAF P15056 13/20 0.47
▸ SRC P12931 1/20 0.40
▸ SYK P43405 1/20 0.40
▸ SCARB1 Q8WTV0 1/20 0.39

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
SCHEMBL13797963 0.91 LYN (0.79) LYNMAPK9MAPK14BRAF
SCHEMBL13797976 0.89 LYN (0.80) LYNMAPK9MAPK14BRAF
SCHEMBL13797965 0.88 LYN (0.84) LYNMAPK9MAPK14BRAF
SCHEMBL13797971 0.88 LYN (0.76) LYNMAPK9MAPK14BRAFSCARB1
SCHEMBL13797964 0.87 LYN (0.82) LYNMAPK9MAPK14BRAF
SCHEMBL13798004 0.86 LYN (0.74) LYNMAPK9MAPK14BRAF
SCHEMBL3257330 0.86 LYN (0.74) LYNMAPK9MAPK14BRAF
SCHEMBL3255234 0.85 LYN (1.00) LYNMAPK9MAPK14BRAF
SCHEMBL13359165 0.85 LYN (0.79) LYNMAPK9MAPK14BRAF
SCHEMBL13798003 0.85 LYN (0.78) 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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