SCHEMBL13797939

SCHEMBL13797939

COc1c(NC(=O)c2cc3cccc(NC(=O)c4cnc5ccccc5n4)c3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LYN P07948 2/20 0.66
▸ MAPK9 P45984 2/20 0.66
▸ MAPK14 Q16539 6/20 0.66
▸ BRAF P15056 7/20 0.43
▸ ABL1 P00519 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ RAF1 P04049 1/20 0.40
▸ EPHA2 P29317 1/20 0.40
▸ EPHA3 P29320 1/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ GSK3A P49840 1/20 0.39
▸ SCARB1 Q8WTV0 2/20 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
SCHEMBL13797940 0.89 MAPK14 (0.66) LYNMAPK9MAPK14BRAFABL1
SCHEMBL13797949 0.89 MAPK14 (0.68) LYNMAPK9MAPK14BRAFABL1
SCHEMBL13797944 0.87 LYN (0.67) LYNMAPK9MAPK14BRAFABL1
SCHEMBL13797952 0.85 MAPK14 (0.72) LYNMAPK9MAPK14BRAFGSK3A
SCHEMBL13797943 0.85 MAPK14 (0.72) LYNMAPK9MAPK14BRAFSCARB1
SCHEMBL13797959 0.84 LYN (0.68) LYNMAPK9MAPK14BRAFGSK3A
SCHEMBL3256057 0.84 LYN (0.77) LYNMAPK9MAPK14BRAF
SCHEMBL13797938 0.84 MAPK14 (0.73) LYNMAPK9MAPK14BRAFSCARB1
SCHEMBL13797958 0.84 LYN (0.72) LYNMAPK9MAPK14BRAF
SCHEMBL13797996 0.83 MAPK14 (0.69) LYNMAPK9MAPK14BRAFSCARB1

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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