SCHEMBL302053

SCHEMBL302053

COc1c(NC(=O)c2cc(C)c(C)c(-n3cc(-c4cccnc4)nn3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O.COc1c(NC(=O)c2cccc(-n3cc(-c4cccnc4)nn3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.41
MAPK14 Q16539 3/20 0.40
LYN P07948 1/20 0.39
MAPK9 P45984 1/20 0.39
GPR142 Q7Z601 1/20 0.39
NAMPT P43490 1/20 0.39

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
SCHEMBL4034611 0.95 MAPK14 (0.44) BRAFMAPK14LYNMAPK9
SCHEMBL4034702 0.93 MAPK14 (0.46) BRAFMAPK14LYNMAPK9GPR142
SCHEMBL302540 0.88 BRAF (0.48) BRAF
SCHEMBL4033283 0.88 MAPK14 (0.45) BRAFMAPK14LYNMAPK9
SCHEMBL4031903 0.85 MAPK14 (0.45) BRAFMAPK14LYNMAPK9
SCHEMBL302124 0.85 MAPK14 (0.44) BRAFMAPK14LYNMAPK9
SCHEMBL301937 0.82 BRAF (0.51) BRAF
SCHEMBL4033518 0.81 BRAF (0.49) BRAF
SCHEMBL4031661 0.80 BRAF (0.51) BRAF
SCHEMBL4034395 0.80 BRAF (0.54) 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
JP-4850824-B2 2012-01-11 JP claimed