SCHEMBL14276227

SCHEMBL14276227

COc1c(NC(=O)c2cc3cccc(Oc4ccnc(OCCn5ccnc5)n4)c3n2C)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 14/20 0.44
▸ MAPK14 Q16539 13/20 0.44
▸ SRC P12931 10/20 0.44
▸ SYK P43405 10/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CXCL8 P10145 1/20 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
SCHEMBL5682646 0.90 GSK3A (0.46) GSK3AMAPK14SRCSYKCYP3A4
SCHEMBL14276170 0.89 MAPK14 (0.49) GSK3AMAPK14SRCSYKCYP3A4
SCHEMBL14276146 0.89 GSK3A (0.48) GSK3AMAPK14SRCSYKCYP3A4
SCHEMBL14276144 0.89 MAPK14 (0.51) GSK3AMAPK14SRCSYKCYP3A4
SCHEMBL5682531 0.87 MAPK14 (0.55) GSK3AMAPK14SRCSYKCYP3A4
SCHEMBL14276179 0.85 MAPK14 (0.50) GSK3AMAPK14SRCSYKCYP3A4
SCHEMBL14276256 0.85 MAPK14 (0.49) GSK3AMAPK14SRCSYKCYP3A4
SCHEMBL14276141 0.84 MAPK14 (0.50) GSK3AMAPK14SRCSYKCYP3A4
SCHEMBL5682445 0.83 GSK3A (0.50) GSK3AMAPK14SRCSYKCYP3A4
SCHEMBL5685356 0.83 MAPK14 (0.49) 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
Send feedback