SCHEMBL304159

SCHEMBL304159

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(N(C)C3CC3)nc2)nn1

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BRAF P15056 20/20 0.44

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
SCHEMBL304160 0.88 BRAF (0.42) BRAF
SCHEMBL4033654 0.86 BRAF (0.49) BRAF
SCHEMBL4030694 0.83 BRAF (0.48) BRAF
SCHEMBL4031656 0.82 BRAF (0.46) BRAF
SCHEMBL4022145 0.80 BRAF (0.41) BRAF
SCHEMBL4031123 0.80 BRAF (0.48) BRAF
SCHEMBL4034395 0.79 BRAF (0.54) BRAF
SCHEMBL4031287 0.79 LYN (0.57) BRAF
SCHEMBL4034281 0.79 BRAF (0.48) BRAF
SCHEMBL302324 0.79 BRAF (0.49) 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