SCHEMBL15062885

SCHEMBL15062885

COC(=O)c1cc(C(C)(C)C)cc(NC(=O)c2ccc(C)c(Oc3ccnc(CN4CCN(OC(=O)OC(C)(C)C)CC4)c3)c2)c1OC

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.39
MAP3K20 Q9NYL2 1/20 0.39
GSK3A P49840 14/20 0.38
SRC P12931 10/20 0.38
SYK P43405 10/20 0.38
BRAF P15056 3/20 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
SCHEMBL15063026 0.97 GSK3A (0.41) MAPK14MAP3K20GSK3ASRCSYK
SCHEMBL2671367 0.91 MAPK14 (0.40) MAPK14MAP3K20GSK3ASRCSYK
SCHEMBL1935735 0.90 BRAF (0.47) MAPK14GSK3ASRCSYKBRAF
SCHEMBL2671034 0.89 GSK3A (0.41) MAPK14MAP3K20GSK3ASRCSYK
SCHEMBL2671097 0.88 GSK3A (0.48) MAPK14MAP3K20GSK3ASRCSYK
SCHEMBL1935715 0.88 BRAF (0.45) MAPK14GSK3ASRCSYKBRAF
SCHEMBL2671828 0.85 GSK3A (0.46) MAPK14MAP3K20GSK3ASRCSYK
SCHEMBL1936807 0.83 GSK3A (0.44) MAPK14GSK3ASRCSYKBRAF
SCHEMBL1936023 0.83 BRAF (0.41) MAPK14MAP3K20GSK3ASRCSYK
SCHEMBL1936142 0.81 BRAF (0.42) MAPK14GSK3ASRCSYKBRAF

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
EP-2331506-B1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2013-07-03 EP disclosed