SCHEMBL5779197

SCHEMBL5779197

COc1c(NC(=O)c2ccc(C)c(-n3cc(C(=O)NCC4CCCN(C(=O)O)C4)nn3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BRAF P15056 20/20 0.46

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
SCHEMBL4494944 0.93 BRAF (0.45) BRAF
SCHEMBL6243884 0.93 BRAF (0.49) BRAF
SCHEMBL5776608 0.92 BRAF (0.48) BRAF
SCHEMBL4494468 0.92 BRAF (0.48) BRAF
SCHEMBL4506618 0.91 BRAF (0.47) BRAF
SCHEMBL4489645 0.90 BRAF (0.49) BRAF
SCHEMBL5779775 0.89 BRAF (0.43) BRAF
SCHEMBL14602785 0.89 BRAF (0.55) BRAF
SCHEMBL5620815 0.87 BRAF (0.54) BRAF
SCHEMBL4483512 0.87 BRAF (0.48) 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