SCHEMBL5776870

SCHEMBL5776870

COC(=O)Oc1cn(-c2cc(C(=O)Nc3cc(C(C)(C)C)cc(NS(C)(=O)=O)c3OC)ccc2Cl)nn1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.46
BRAF P15056 16/20 0.46
LYN P07948 1/20 0.42
MAPK9 P45984 1/20 0.42

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
SCHEMBL5812004 0.94 BRAF (0.45) MAPK14BRAFLYNMAPK9
SCHEMBL5777315 0.90 BRAF (0.43) MAPK14BRAFLYNMAPK9
SCHEMBL5778687 0.89 MAPK14 (0.43) MAPK14BRAFLYNMAPK9
SCHEMBL4496287 0.88 MAPK14 (0.47) MAPK14BRAFLYNMAPK9
SCHEMBL4495928 0.88 MAPK14 (0.47) MAPK14BRAFLYNMAPK9
SCHEMBL5776902 0.87 BRAF (0.44) MAPK14BRAF
SCHEMBL5776997 0.87 MAPK14 (0.42) MAPK14BRAFLYNMAPK9
SCHEMBL5777098 0.86 BRAF (0.51) MAPK14BRAF
SCHEMBL5775111 0.86 BRAF (0.50) MAPK14BRAF
SCHEMBL5808806 0.85 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