SCHEMBL2843245

SCHEMBL2843245

COc1c(NC(=O)c2cnc(C)c(C(=O)Nc3ccc(OCc4ccncc4)cc3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.46
BRAF P15056 7/20 0.43
LYN P07948 1/20 0.43
MAPK9 P45984 1/20 0.43
GSK3A P49840 2/20 0.40
SRC P12931 2/20 0.39
SYK P43405 2/20 0.39
F10 P00742 1/20 0.39
LCK P06239 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
SCARB1 Q8WTV0 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
SCHEMBL4417851 0.90 MAPK14 (0.44) MAPK14GSK3ASRCSYKF10
SCHEMBL2842154 0.88 MAPK14 (0.45) MAPK14BRAFLYNMAPK9GSK3A
SCHEMBL5490019 0.82 RAB9A (0.42) MAPK14GSK3ATRPV1
SCHEMBL14534466 0.79 MAPK14 (0.45) MAPK14
SCHEMBL4416273 0.78 MAPK14 (0.41) MAPK14GSK3ASRCSYKLCK
SCHEMBL4416963 0.78 MAPK14 (0.44) MAPK14BRAFGSK3ASRCSYK
SCHEMBL4409868 0.78 ALDH1A1 (0.47) MAPK14
SCHEMBL14534469 0.78 MAPK14 (0.43) MAPK14
SCHEMBL5487370 0.77 MAPK14 (0.44) MAPK14GSK3A
SCHEMBL4413435 0.76 MAPK14 (0.47) MAPK14BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2227453-B1 HETEROARYL AMIDES USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMA (US) 2016-03-09 EP disclosed
EP-2227453-A2 HETEROARYL AMIDES USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2010-09-15 EP disclosed
WO-2009049180-A2 HETEROARYL AMIDES USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-04-16 WO disclosed
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed