SCHEMBL1936720

SCHEMBL1936720

COc1c(NC(=O)c2ccc(C(F)(F)F)c(Oc3ccnc(N4CCN(OC(=O)OC(C)(C)C)CC4)n3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.52
BRAF P15056 15/20 0.47
LYN P07948 1/20 0.41
MAPK9 P45984 1/20 0.41
GSK3A P49840 2/20 0.41

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
SCHEMBL1935902 0.92 MAPK14 (0.53) MAPK14BRAFGSK3A
SCHEMBL1936602 0.92 MAPK14 (0.56) MAPK14BRAFGSK3A
SCHEMBL1935710 0.92 MAPK14 (0.54) MAPK14BRAF
SCHEMBL2671044 0.91 MAPK14 (0.53) MAPK14BRAFLYNMAPK9GSK3A
SCHEMBL1934591 0.91 MAPK14 (0.53) MAPK14BRAFGSK3A
SCHEMBL15063056 0.91 MAPK14 (0.53) MAPK14BRAFGSK3A
SCHEMBL1934414 0.91 MAPK14 (0.53) MAPK14BRAFGSK3A
SCHEMBL1936434 0.88 MAPK14 (0.55) MAPK14BRAFLYNMAPK9
Trifluoroacetic Acid SCHEMBL2671436 0.86 MAPK14 (0.53) MAPK14BRAFLYNMAPK9GSK3A
SCHEMBL2671560 0.83 MAPK14 (0.54) MAPK14BRAFLYNMAPK9GSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2331506-B1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2013-07-03 EP disclosed
EP-2331506-A1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2011-06-15 EP disclosed
WO-2010026095-A1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO disclosed