SCHEMBL13797940

SCHEMBL13797940

COc1c(NC(=O)c2cc3c(NC(=O)c4cnc5ccccc5n4)cccc3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 8/20 0.66
▸ LYN P07948 2/20 0.53
▸ MAPK9 P45984 2/20 0.53
▸ BRAF P15056 3/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ EGFR P00533 1/20 0.43
▸ RAF1 P04049 1/20 0.43
▸ EPHA2 P29317 1/20 0.43
▸ EPHA3 P29320 1/20 0.43
▸ AKT1 P31749 1/20 0.43
▸ GSK3A P49840 3/20 0.42
▸ LCK P06239 2/20 0.41
▸ SRC P12931 2/20 0.41
▸ SYK P43405 2/20 0.41
▸ SCARB1 Q8WTV0 3/20 0.41
▸ MAPK10 P53779 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
SCHEMBL13797939 0.89 LYN (0.66) MAPK14LYNMAPK9BRAFABL1
SCHEMBL13797992 0.85 MAPK14 (0.74) MAPK14LYNMAPK9BRAFABL1
SCHEMBL13797935 0.83 MAPK14 (0.69) MAPK14LYNMAPK9GSK3ALCK
SCHEMBL13797988 0.83 MAPK14 (0.69) MAPK14LYNMAPK9BRAFABL1
SCHEMBL3254683 0.83 MAPK14 (0.63) MAPK14LYNMAPK9BRAFABL1
SCHEMBL13797930 0.82 MAPK14 (0.73) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL13359283 0.82 MAPK14 (0.68) MAPK14LYNMAPK9BRAFABL1
SCHEMBL13797991 0.82 MAPK14 (0.67) MAPK14LYNMAPK9BRAFGSK3A
SCHEMBL13797932 0.82 MAPK14 (0.67) MAPK14LYNMAPK9BRAFGSK3A
SCHEMBL13359227 0.81 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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