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SCHEMBL14276139

SCHEMBL14276139

COc1c(NC(=O)c2cc3cccc(Oc4ccnc(NCCN5CCOCC5)n4)c3n2C)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 14/20 0.59
▸ MAPK14 Q16539 13/20 0.59
▸ SRC P12931 9/20 0.59
▸ SYK P43405 9/20 0.59
▸ SCARB1 Q8WTV0 2/20 0.49
▸ CYP3A4 P08684 1/20 0.49

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
SCHEMBL14276142 0.94 GSK3A (0.53) GSK3AMAPK14SRCSYKCYP3A4
SCHEMBL5685275 0.91 MAPK14 (0.54) GSK3AMAPK14SRCSYKSCARB1
SCHEMBL5114424 0.91 GSK3A (0.55) GSK3AMAPK14SRCSYK
SCHEMBL14276154 0.91 GSK3A (0.53) GSK3AMAPK14SRCSYKSCARB1
SCHEMBL5682531 0.90 MAPK14 (0.55) GSK3AMAPK14SRCSYKSCARB1
SCHEMBL14276153 0.90 MAPK14 (0.53) GSK3AMAPK14SRCSYKSCARB1
SCHEMBL5681489 0.88 GSK3A (0.52) GSK3AMAPK14SRCSYKCYP3A4
SCHEMBL5681104 0.87 GSK3A (0.53) GSK3AMAPK14SRCSYKCYP3A4
SCHEMBL14276215 0.87 GSK3A (0.48) GSK3AMAPK14SRCSYKCYP3A4
SCHEMBL5682646 0.87 GSK3A (0.46) GSK3AMAPK14SRCSYKCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 — — US disclosed
US-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 — — US disclosed