SCHEMBL1936023

SCHEMBL1936023

COc1c(CN2CCCC2)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Oc2ccnc(CC3CCN(OC(=O)OC(C)(C)C)CC3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.41
MAPK14 Q16539 6/20 0.39
MAP3K20 Q9NYL2 1/20 0.39
GSK3A P49840 8/20 0.38
SRC P12931 4/20 0.37
SYK P43405 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL1934788 0.93 BRAF (0.42) BRAFMAPK14GSK3ASRCSYK
SCHEMBL2671763 0.92 BRAF (0.43) BRAFMAPK14MAP3K20GSK3ASRC
SCHEMBL1936778 0.91 BRAF (0.41) BRAFMAPK14MAP3K20GSK3ASRC
SCHEMBL1934596 0.91 BRAF (0.41) BRAFMAPK14GSK3ASRCSYK
SCHEMBL1935974 0.90 SRC (0.45) BRAFMAPK14GSK3ASRCSYK
SCHEMBL1935947 0.90 BRAF (0.41) BRAFMAPK14GSK3ASRCSYK
SCHEMBL1934798 0.90 BRAF (0.45) BRAFMAPK14GSK3ASRCSYK
SCHEMBL1936218 0.90 BRAF (0.40) BRAFMAPK14GSK3ASRCSYK
SCHEMBL1936142 0.90 BRAF (0.42) BRAFMAPK14GSK3ASRCSYK
SCHEMBL15062934 0.89 BRAF (0.43) BRAFMAPK14GSK3ASRCSYK

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