SCHEMBL5777315

SCHEMBL5777315

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

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRAF P15056 16/20 0.43
MAPK14 Q16539 3/20 0.42
LYN P07948 1/20 0.39
MAPK9 P45984 1/20 0.39

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
SCHEMBL5774686 0.92 BRAF (0.42) BRAFMAPK14LYNMAPK9
SCHEMBL5776870 0.90 MAPK14 (0.46) BRAFMAPK14LYNMAPK9
SCHEMBL13757124 0.89 BRAF (0.44) BRAFMAPK14LYNMAPK9
SCHEMBL5808806 0.88 MAPK14 (0.41) BRAFMAPK14LYNMAPK9
SCHEMBL5779482 0.88 BRAF (0.47) BRAF
SCHEMBL5777714 0.88 MAPK14 (0.44) BRAFMAPK14LYNMAPK9
SCHEMBL5812004 0.88 BRAF (0.45) BRAFMAPK14LYNMAPK9
SCHEMBL5778571 0.87 MAPK14 (0.41) BRAFMAPK14LYNMAPK9
SCHEMBL5779620 0.86 BRAF (0.45) BRAF
SCHEMBL5778687 0.85 MAPK14 (0.43) BRAFMAPK14LYNMAPK9

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