SCHEMBL5779833

SCHEMBL5779833

COc1c(NC(=O)c2cc(C)c(C)c(-n3cc(OC(=O)NCc4ccccc4)nn3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.44
BRAF P15056 12/20 0.40
SCARB1 Q8WTV0 2/20 0.39
LYN P07948 1/20 0.38
MAPK9 P45984 1/20 0.38

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
SCHEMBL5777215 0.93 BRAF (0.45) MAPK14BRAF
SCHEMBL4498741 0.90 MAPK14 (0.46) MAPK14BRAFSCARB1LYNMAPK9
SCHEMBL5812757 0.89 MAPK14 (0.44) MAPK14BRAFSCARB1LYNMAPK9
SCHEMBL5776902 0.87 BRAF (0.44) MAPK14BRAF
SCHEMBL5777792 0.87 MAPK14 (0.46) MAPK14BRAFSCARB1LYNMAPK9
SCHEMBL5778538 0.87 BRAF (0.44) MAPK14BRAF
SCHEMBL5813910 0.86 BRAF (0.45) MAPK14BRAF
SCHEMBL5776543 0.86 BRAF (0.43) MAPK14BRAF
SCHEMBL5777351 0.84 BRAF (0.48) MAPK14BRAFSCARB1LYNMAPK9
SCHEMBL5808806 0.83 MAPK14 (0.41) MAPK14BRAFLYNMAPK9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567507-B1 1,2,3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2006-06-14 EP claimed