SCHEMBL5779121

SCHEMBL5779121

COc1c(NC(=O)c2ccc(C)c(-n3nnc(OC(=O)NCc4cccnc4)c3N)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.44
BRAF P15056 14/20 0.43
POLB P06746 1/20 0.41

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
SCHEMBL5619459 0.90 BRAF (0.44) MAPK14BRAFPOLB
SCHEMBL5776067 0.88 BRAF (0.47) MAPK14BRAF
SCHEMBL5776543 0.86 BRAF (0.43) MAPK14BRAF
SCHEMBL5778761 0.86 BRAF (0.51) MAPK14BRAF
SCHEMBL5776637 0.85 BRAF (0.45) MAPK14BRAF
SCHEMBL5777490 0.83 BRAF (0.46) MAPK14BRAF
SCHEMBL5779513 0.83 BRAF (0.45) MAPK14BRAF
SCHEMBL6808232 0.83 BRAF (0.45) MAPK14BRAFPOLB
SCHEMBL13935921 0.81 MEN1 (0.46) MAPK14BRAFPOLB
SCHEMBL5808806 0.81 MAPK14 (0.41) MAPK14BRAFPOLB

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