SCHEMBL5777976

SCHEMBL5777976

COc1c(NC(=O)c2ccc(C)c(-n3cc(OC(=O)NC4CCCC4)nn3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRAF P15056 19/20 0.46
LYN P07948 1/20 0.44
MAPK9 P45984 1/20 0.44

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
SCHEMBL5778311 0.97 BRAF (0.47) BRAFLYNMAPK9
SCHEMBL4499228 0.90 BRAF (0.48) BRAFLYNMAPK9
SCHEMBL5778395 0.90 BRAF (0.45) BRAF
SCHEMBL5780554 0.90 BRAF (0.45) BRAF
SCHEMBL5809161 0.90 BRAF (0.46) BRAF
SCHEMBL5813134 0.89 BRAF (0.46) BRAF
SCHEMBL5777098 0.88 BRAF (0.51) BRAF
SCHEMBL4499253 0.87 BRAF (0.49) BRAFLYNMAPK9
SCHEMBL5775111 0.87 BRAF (0.50) BRAF
SCHEMBL5778021 0.86 BRAF (0.49) BRAF

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