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SCHEMBL15062875

SCHEMBL15062875

COc1c(NC(=O)c2cc(C)cc(Oc3ccnc(C(=O)N4CCN(OC(=O)OC(C)(C)C)CC4)n3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 7/20 0.42
▸ MAPK14 Q16539 5/20 0.41
▸ SRC P12931 3/20 0.41
▸ SYK P43405 3/20 0.41
▸ BRAF P15056 10/20 0.40
▸ LYN P07948 1/20 0.40
▸ MAPK9 P45984 1/20 0.40

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
SCHEMBL2671344 0.92 GSK3A (0.43) GSK3AMAPK14SRCSYKBRAF
SCHEMBL1936477 0.88 GSK3A (0.46) GSK3AMAPK14SRCSYKBRAF
SCHEMBL1936671 0.88 GSK3A (0.45) GSK3AMAPK14SRCSYKBRAF
Trifluoroacetic Acid SCHEMBL2670992 0.85 GSK3A (0.43) GSK3AMAPK14SRCSYKBRAF
SCHEMBL2671405 0.84 MAPK14 (0.47) GSK3AMAPK14SRCSYKBRAF
SCHEMBL1936510 0.84 MAPK14 (0.47) GSK3AMAPK14SRCSYKBRAF
SCHEMBL2671471 0.81 GSK3A (0.46) GSK3AMAPK14SRCSYKBRAF
SCHEMBL1936877 0.81 MAPK14 (0.49) GSK3AMAPK14SRCSYKBRAF
SCHEMBL1935910 0.80 MAPK14 (0.46) GSK3AMAPK14SRCSYKBRAF
SCHEMBL1935811 0.79 MAPK14 (0.47) GSK3AMAPK14SRCSYKBRAF

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