SCHEMBL5779037

SCHEMBL5779037

COc1c(NC(=O)c2cccc(-n3cc(OC(=O)N[C@H](C)c4ccccc4)nn3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.44
BRAF P15056 12/20 0.40
LYN P07948 1/20 0.40
MAPK9 P45984 1/20 0.40
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GSK3A P49840 1/20 0.36

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
SCHEMBL5778687 0.89 MAPK14 (0.43) MAPK14BRAFLYNMAPK9GSK3A
SCHEMBL5777788 0.89 BRAF (0.45) MAPK14BRAF
SCHEMBL5777792 0.87 MAPK14 (0.46) MAPK14BRAFLYNMAPK9GSK3A
SCHEMBL5777714 0.86 MAPK14 (0.44) MAPK14BRAFLYNMAPK9
SCHEMBL5779497 0.83 BRAF (0.43) MAPK14BRAF
SCHEMBL4483684 0.82 MAPK14 (0.49) MAPK14BRAFLYNMAPK9MEN1
SCHEMBL5778016 0.81 BRAF (0.43) MAPK14BRAF
SCHEMBL5776997 0.81 MAPK14 (0.42) MAPK14BRAFLYNMAPK9
SCHEMBL5779375 0.80 BRAF (0.36) MAPK14BRAFMEN1ALDH1A1KMT2A
SCHEMBL5777487 0.80 BRAF (0.43) MAPK14BRAF

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