SCHEMBL5780554

SCHEMBL5780554

COc1c(NC(=O)c2ccc(C)c(-n3cc(OC(=O)N[C@H](C)C4CCCCC4)nn3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BRAF P15056 20/20 0.45

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
SCHEMBL5778395 1.00 BRAF (0.45) BRAF
SCHEMBL13757135 0.90 BRAF (0.47) BRAF
SCHEMBL13757132 0.90 BRAF (0.47) BRAF
SCHEMBL5777976 0.90 BRAF (0.46) BRAF
SCHEMBL5778315 0.89 BRAF (0.47) BRAF
SCHEMBL5778570 0.89 BRAF (0.47) BRAF
SCHEMBL5778311 0.89 BRAF (0.47) BRAF
SCHEMBL5813134 0.88 BRAF (0.46) BRAF
SCHEMBL5809161 0.87 BRAF (0.46) BRAF
SCHEMBL5777788 0.86 BRAF (0.45) 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