SCHEMBL5777714

SCHEMBL5777714

COc1c(NC(=O)c2cccc(-n3cc(OC(=O)NCC(C)(C)C)nn3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.44
BRAF P15056 15/20 0.41
LYN P07948 1/20 0.41
MAPK9 P45984 1/20 0.41

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
SCHEMBL5777792 0.91 MAPK14 (0.46) MAPK14BRAFLYNMAPK9
SCHEMBL4496001 0.89 MAPK14 (0.46) MAPK14BRAFLYNMAPK9
SCHEMBL5777315 0.88 BRAF (0.43) MAPK14BRAFLYNMAPK9
SCHEMBL5774686 0.87 BRAF (0.42) MAPK14BRAFLYNMAPK9
SCHEMBL5779037 0.86 MAPK14 (0.44) MAPK14BRAFLYNMAPK9
SCHEMBL5778571 0.83 MAPK14 (0.41) MAPK14BRAFLYNMAPK9
SCHEMBL4483684 0.83 MAPK14 (0.49) MAPK14BRAFLYNMAPK9
SCHEMBL5779482 0.83 BRAF (0.47) BRAF
SCHEMBL5779620 0.81 BRAF (0.45) BRAF
SCHEMBL4496145 0.81 MIF (0.48) 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