SCHEMBL8236122

SCHEMBL8236122

COC(=O)N[C@@H](C)CNc1nccc(-c2cn(C(C)C)nc2-c2cc(Cl)cc(NS(=O)(=O)CS(C)(=O)=O)c2F)n1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 20/20 0.87
MAPK14 Q16539 2/20 0.87
PGRMC1 O00264 1/20 0.87
RIPK2 O43353 1/20 0.87
NR1I2 O75469 1/20 0.87
CDK4 P11802 1/20 0.87
CHRM3 P20309 1/20 0.87
CCKBR P32239 1/20 0.87
OPRK1 P41145 1/20 0.87
HTR2B P41595 1/20 0.87
MAPK8 P45983 1/20 0.87
MAPK9 P45984 1/20 0.87
CSNK1A1 P48729 1/20 0.87
MAPKAPK2 P49137 1/20 0.87
PCYT1A P49585 1/20 0.87
GSK3A P49840 1/20 0.87
GSK3B P49841 1/20 0.87
IRAK1 P51617 1/20 0.87
LIMK1 P53667 1/20 0.87
LIMK2 P53671 1/20 0.87

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
SCHEMBL8236124 1.00 BRAF (0.87) BRAFMAPK14PGRMC1RIPK2NR1I2
SCHEMBL8233923 0.93 BRAF (0.75) BRAFMAPK14PGRMC1RIPK2NR1I2
Encorafenib SCHEMBL29368575 0.93 BRAF (1.00) BRAFMAPK14PGRMC1RIPK2NR1I2
Encorafenib SCHEMBL8512458 0.93 BRAF (1.00) BRAFMAPK14PGRMC1RIPK2NR1I2
Encorafenib SCHEMBL31210316 0.93 BRAF (1.00) BRAFMAPK14PGRMC1RIPK2NR1I2
Encorafenib SCHEMBL8231398 0.93 BRAF (1.00) BRAFMAPK14PGRMC1RIPK2NR1I2
Encorafenib SCHEMBL8228295 0.93 BRAF (1.00) BRAFMAPK14PGRMC1RIPK2NR1I2
SCHEMBL8241660 0.92 BRAF (1.00) BRAFMAPK14PGRMC1RIPK2NR1I2
SCHEMBL15663129 0.92 BRAF (1.00) BRAFMAPK14PGRMC1RIPK2NR1I2
SCHEMBL8232229 0.90 BRAF (1.00) BRAFMAPK14PGRMC1RIPK2NR1I2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470526-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2012-07-04 EP disclosed
WO-2011025927-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-03-03 WO disclosed