SCHEMBL1404792

SCHEMBL1404792

COc1c(CN2CCOCC2)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(-n2cc(OC(=O)NCC(C)(C)C)nn2)c1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.43
ABL1 P00519 5/20 0.42
BCR P11274 5/20 0.42
STK25 O00506 1/20 0.39
CNR2 P34972 1/20 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
SCHEMBL1404819 0.94 BRAF (0.42) BRAFABL1BCRSTK25
SCHEMBL1404761 0.93 ABL1 (0.43) BRAFABL1BCR
SCHEMBL1381107 0.90 BRAF (0.44) BRAFABL1BCRSTK25CNR2
SCHEMBL1404811 0.87 BRAF (0.38) BRAF
SCHEMBL1414023 0.87 ABL1 (0.46) BRAFABL1BCR
SCHEMBL1404758 0.86 BRAF (0.37) BRAF
SCHEMBL4471194 0.86 BRAF (0.46) BRAFABL1BCRSTK25
SCHEMBL1404576 0.85 BRAF (0.39) BRAF
SCHEMBL1404608 0.85 BRAF (0.35) BRAF
SCHEMBL5779078 0.85 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