SCHEMBL5776694

SCHEMBL5776694

COc1c(NC(=O)c2ccc(C)c(-n3cc(C(=O)c4cccc(C(=O)O)c4)nn3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRAF P15056 16/20 0.47
MAPK14 Q16539 3/20 0.44
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
SCHEMBL4482948 0.94 BRAF (0.47) BRAFMAPK14LYNMAPK9
SCHEMBL4483034 0.94 BRAF (0.49) BRAFMAPK14LYNMAPK9
SCHEMBL4495780 0.91 BRAF (0.52) BRAFMAPK14
SCHEMBL4495840 0.90 BRAF (0.49) BRAFMAPK14LYNMAPK9
SCHEMBL4487287 0.89 BRAF (0.48) BRAFMAPK14LYNMAPK9
SCHEMBL4499185 0.88 BRAF (0.48) BRAFMAPK14LYNMAPK9
SCHEMBL6194179 0.88 BRAF (0.49) BRAFMAPK14
SCHEMBL4490549 0.88 BRAF (0.52) BRAFMAPK14
SCHEMBL4483178 0.87 BRAF (0.49) BRAFMAPK14
Pivalamide SCHEMBL6807091 0.87 BRAF (0.49) BRAFMAPK14

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