SCHEMBL1404902

SCHEMBL1404902

COc1c(NC(=O)c2ccc(C)c(-n3cc(OC(=O)NCC(C)(C)C)nn3)c2)cc(C(C)(C)C)cc1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRAF P15056 16/20 0.36
MAPK14 Q16539 1/20 0.34
F7 P08709 1/20 0.34
GPR142 Q7Z601 1/20 0.33

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) BRAFGPR142
SCHEMBL5779078 0.91 BRAF (0.37) BRAFGPR142
SCHEMBL1404576 0.90 BRAF (0.39) BRAF
SCHEMBL1404842 0.89 BRAF (0.40) BRAFMAPK14
SCHEMBL1384412 0.89 BRAF (0.37) BRAFMAPK14F7GPR142
SCHEMBL1404608 0.89 BRAF (0.35) BRAFGPR142
SCHEMBL1404669 0.88 BRAF (0.36) BRAFGPR142
SCHEMBL1404647 0.88 BRAF (0.36) BRAF
SCHEMBL1404662 0.88 MAPK14 (0.38) BRAFMAPK14
SCHEMBL1404768 0.87 ABL1 (0.38) BRAFGPR142

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