SCHEMBL5777792

SCHEMBL5777792

COc1c(NC(=O)c2cccc(-n3cc(OC(=O)NCc4ccccc4)nn3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.46
SCARB1 Q8WTV0 5/20 0.41
BRAF P15056 7/20 0.40
LYN P07948 2/20 0.40
MAPK9 P45984 2/20 0.40
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
RAF1 P04049 1/20 0.38
EPHA2 P29317 1/20 0.38
EPHA3 P29320 1/20 0.38
AKT1 P31749 1/20 0.38
GSK3A P49840 1/20 0.38

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
SCHEMBL5777714 0.91 MAPK14 (0.44) MAPK14BRAFLYNMAPK9
SCHEMBL4496145 0.89 MIF (0.48) MAPK14SCARB1BRAFLYNMAPK9
SCHEMBL5777215 0.89 BRAF (0.45) MAPK14BRAF
SCHEMBL5812757 0.88 MAPK14 (0.44) MAPK14SCARB1BRAFLYNMAPK9
SCHEMBL5779833 0.87 MAPK14 (0.44) MAPK14SCARB1BRAFLYNMAPK9
SCHEMBL5779037 0.87 MAPK14 (0.44) MAPK14BRAFLYNMAPK9GSK3A
SCHEMBL5778538 0.84 BRAF (0.44) MAPK14BRAF
SCHEMBL5813910 0.83 BRAF (0.45) MAPK14BRAF
SCHEMBL4483684 0.83 MAPK14 (0.49) MAPK14BRAFLYNMAPK9GSK3A
SCHEMBL5808806 0.82 MAPK14 (0.41) MAPK14BRAFLYNMAPK9

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