SCHEMBL304160

SCHEMBL304160

COc1c(NC(=O)c2ccc(C)c(-n3cc(-c4ccc(N)nc4)nn3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O.Cc1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2[S+](C)[O-])cc1-n1cc(-c2ccc(NCC3CC3)nc2)nn1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRAF P15056 19/20 0.42
LYN P07948 1/20 0.40
MAPK9 P45984 1/20 0.40

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
SCHEMBL301730 0.91 BRAF (0.48) BRAFLYNMAPK9
SCHEMBL304159 0.88 BRAF (0.44) BRAF
SCHEMBL4033405 0.88 BRAF (0.47) BRAF
SCHEMBL4033654 0.85 BRAF (0.49) BRAF
SCHEMBL4031287 0.82 LYN (0.57) BRAFLYNMAPK9
SCHEMBL4031658 0.82 BRAF (0.48) BRAF
SCHEMBL4034281 0.81 BRAF (0.48) BRAFLYNMAPK9
SCHEMBL4031904 0.81 BRAF (0.52) BRAFLYNMAPK9
SCHEMBL4022149 0.80 BRAF (0.44) BRAF
SCHEMBL4032271 0.80 BRAF (0.45) 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