SCHEMBL5774686

SCHEMBL5774686

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

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRAF P15056 16/20 0.42
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
SCHEMBL5777315 0.92 BRAF (0.43) BRAFMAPK14LYNMAPK9
SCHEMBL5778571 0.91 MAPK14 (0.41) BRAFMAPK14LYNMAPK9
SCHEMBL5812757 0.90 MAPK14 (0.44) BRAFMAPK14LYNMAPK9
SCHEMBL5779482 0.87 BRAF (0.47) BRAF
SCHEMBL5777714 0.87 MAPK14 (0.44) BRAFMAPK14LYNMAPK9
SCHEMBL5779620 0.85 BRAF (0.45) BRAF
SCHEMBL5778280 0.85 BRAF (0.46) BRAF
SCHEMBL4498583 0.83 MAPK14 (0.46) BRAFMAPK14LYNMAPK9
SCHEMBL1404811 0.83 BRAF (0.38) BRAF
SCHEMBL5777215 0.82 BRAF (0.45) 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