SCHEMBL4902142

SCHEMBL4902142

COc1c(NC(=O)c2cnc(C)c(-n3cc(C(=O)NN4CCCCC4)nn3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.48
LYN P07948 1/20 0.42
MAPK9 P45984 1/20 0.42
MAPK14 Q16539 2/20 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
SCHEMBL4779949 0.87 MAPK14 (0.37) BRAFMAPK14
SCHEMBL4955400 0.86 BRAF (0.42) BRAFLYNMAPK9MAPK14
SCHEMBL13436288 0.79 BRAF (0.42) BRAFLYNMAPK9MAPK14
SCHEMBL13757145 0.78 BRAF (0.49) BRAF
SCHEMBL4782863 0.78 NR1I2 (0.40) BRAFMAPK14
SCHEMBL4487218 0.77 BRAF (0.51) BRAFMAPK14
SCHEMBL4499228 0.77 BRAF (0.48) BRAFLYNMAPK9
SCHEMBL4781871 0.77 MAPK14 (0.37) BRAFMAPK14
SCHEMBL4489887 0.77 BRAF (0.51) BRAFMAPK14
SCHEMBL4487924 0.77 BRAF (0.45) BRAFLYNMAPK9MAPK14

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
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed