SCHEMBL13798011

SCHEMBL13798011

COc1c(NC(=O)c2cc3cccc(NC(=O)Nc4cccc(NCC5CCCCC5)n4)c3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LYN P07948 2/20 0.62
▸ MAPK9 P45984 2/20 0.62
▸ MAPK14 Q16539 7/20 0.54
▸ GSK3A P49840 5/20 0.41
▸ SRC P12931 4/20 0.41
▸ SYK P43405 4/20 0.41
▸ BRAF P15056 9/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ RAF1 P04049 1/20 0.39
▸ EPHA2 P29317 1/20 0.39
▸ EPHA3 P29320 1/20 0.39
▸ AKT1 P31749 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
SCHEMBL13359165 0.88 LYN (0.79) LYNMAPK9MAPK14BRAF
SCHEMBL13798012 0.86 LYN (0.60) LYNMAPK9MAPK14GSK3ASRC
SCHEMBL13797964 0.84 LYN (0.82) LYNMAPK9MAPK14BRAF
SCHEMBL13797968 0.80 MAPK14 (0.69) LYNMAPK9MAPK14GSK3ASRC
SCHEMBL13797943 0.79 MAPK14 (0.72) LYNMAPK9MAPK14BRAF
SCHEMBL13797938 0.78 MAPK14 (0.73) LYNMAPK9MAPK14BRAF
SCHEMBL13797996 0.78 MAPK14 (0.69) LYNMAPK9MAPK14BRAF
SCHEMBL13797952 0.78 MAPK14 (0.72) LYNMAPK9MAPK14GSK3ABRAF
SCHEMBL13798007 0.77 LYN (0.71) LYNMAPK9MAPK14BRAF
SCHEMBL13797953 0.77 LYN (0.71) 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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