SCHEMBL13848906

SCHEMBL13848906

C=C(Nc1cc(C(C)(C)C)cc(NS(C)(=O)=O)c1OC)c1ccc(C)c(-n2cc(-c3cnc(CC)n3Cc3ccccc3)nn2)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 16/20 0.39
MAPK14 Q16539 3/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
RAF1 P04049 1/20 0.37
LYN P07948 1/20 0.37
EPHA2 P29317 1/20 0.37
EPHA3 P29320 1/20 0.37
AKT1 P31749 1/20 0.37
MAPK9 P45984 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
SCHEMBL4034037 0.93 BRAF (0.46) BRAFMAPK14
SCHEMBL4033846 0.85 BRAF (0.49) BRAF
SCHEMBL302770 0.84 BRAF (0.42) BRAF
SCHEMBL302363 0.83 BRAF (0.45) BRAFMAPK14
SCHEMBL4206717 0.83 BRAF (0.47) BRAFMAPK14
SCHEMBL302523 0.82 BRAF (0.48) BRAF
SCHEMBL4031935 0.82 BRAF (0.46) BRAFMAPK14
SCHEMBL4032273 0.82 BRAF (0.44) BRAFMAPK14
SCHEMBL304168 0.81 BRAF (0.46) BRAF
SCHEMBL4033874 0.79 BRAF (0.47) 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-1725544-B1 3-[4-HETEROCYCLYL-1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMA (US) 2009-05-27 EP disclosed