SCHEMBL5779482

SCHEMBL5779482

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

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BRAF P15056 20/20 0.47

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
SCHEMBL5779620 0.92 BRAF (0.45) BRAF
SCHEMBL5778280 0.92 BRAF (0.46) BRAF
SCHEMBL13757143 0.90 BRAF (0.49) BRAF
SCHEMBL5777215 0.90 BRAF (0.45) BRAF
SCHEMBL5813910 0.89 BRAF (0.45) BRAF
SCHEMBL5777098 0.89 BRAF (0.51) BRAF
SCHEMBL5809161 0.88 BRAF (0.46) BRAF
SCHEMBL5775111 0.88 BRAF (0.50) BRAF
SCHEMBL5780230 0.88 BRAF (0.47) BRAF
SCHEMBL5778153 0.88 BRAF (0.47) 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-1567507-B1 1,2,3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2006-06-14 EP claimed