SCHEMBL13797968

SCHEMBL13797968

COc1c(NC(=O)c2cc3cccc(NC(=O)Nc4ccccc4)c3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 11/20 0.69
▸ LYN P07948 2/20 0.64
▸ MAPK9 P45984 2/20 0.64
▸ HTR3A P46098 1/20 0.46
▸ GSK3A P49840 7/20 0.44
▸ SRC P12931 6/20 0.43
▸ SYK P43405 6/20 0.43
▸ LCK P06239 2/20 0.43
▸ BRAF P15056 2/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ RAF1 P04049 1/20 0.42
▸ EPHA2 P29317 1/20 0.42
▸ EPHA3 P29320 1/20 0.42
▸ AKT1 P31749 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ SCARB1 Q8WTV0 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL13797952 0.91 MAPK14 (0.72) MAPK14LYNMAPK9GSK3ABRAF
SCHEMBL13797943 0.89 MAPK14 (0.72) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL13797938 0.88 MAPK14 (0.73) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL13797996 0.87 MAPK14 (0.69) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL13797962 0.87 MAPK14 (0.67) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL13797947 0.86 MAPK14 (0.69) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL13359242 0.86 MAPK14 (0.68) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL13797949 0.86 MAPK14 (0.68) MAPK14LYNMAPK9GSK3ASRC
SCHEMBL13798012 0.86 LYN (0.60) MAPK14LYNMAPK9GSK3ASRC
SCHEMBL13797993 0.85 MAPK14 (0.74) MAPK14LYNMAPK9BRAFSCARB1

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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