SCHEMBL1404662

SCHEMBL1404662

COc1c(C#N)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(-n2cc(OC(=O)NCC(C)(C)C)nn2)c1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.38
BRAF P15056 13/20 0.36

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
SCHEMBL1404811 0.92 BRAF (0.38) BRAF
SCHEMBL1404576 0.90 BRAF (0.39) BRAF
SCHEMBL1378709 0.89 MAPK14 (0.39) MAPK14BRAF
SCHEMBL5779078 0.89 BRAF (0.37) BRAF
SCHEMBL1404764 0.88 BRAF (0.34) BRAF
SCHEMBL1404902 0.88 BRAF (0.36) MAPK14BRAF
SCHEMBL1404669 0.87 BRAF (0.36) BRAF
SCHEMBL1404647 0.87 BRAF (0.36) BRAF
SCHEMBL1404961 0.86 BRAF (0.36) BRAF
SCHEMBL1404758 0.86 BRAF (0.37) BRAF

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-1692116-B1 1,2,3-TRIAZOLE AMIDE DERIVATIVES AS INHIBITORS OF CYTOKINE PRODUCTION BOEHRINGER INGELHEIM PHARMA (US) 2011-03-09 EP claimed