SCHEMBL14459484

SCHEMBL14459484

COc1c(NC(=O)Nc2ccc(Oc3ccncc3)c3ccccc23)cc(C(C)(C)C)cc1NC(=O)N1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 16/20 0.62
MAPK14 Q16539 16/20 0.56
SRC P12931 15/20 0.56
SYK P43405 14/20 0.56
CYP3A4 P08684 1/20 0.53
LCK P06239 1/20 0.53

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
SCHEMBL5618647 0.89 GSK3A (0.51) GSK3AMAPK14SRCSYKCYP3A4
SCHEMBL14459485 0.85 MAPK14 (0.60) GSK3AMAPK14SRCSYK
SCHEMBL14459488 0.83 MAPK14 (0.60) GSK3AMAPK14SRCSYK
SCHEMBL14459482 0.81 GSK3A (0.68) GSK3AMAPK14SRCSYK
SCHEMBL6840076 0.80 GSK3A (0.67) GSK3AMAPK14SRCSYK
SCHEMBL6547129 0.79 MAPK14 (0.59) GSK3AMAPK14SRCSYK
SCHEMBL6298751 0.79 GSK3A (0.67) GSK3AMAPK14SRCSYK
SCHEMBL6298743 0.78 GSK3A (0.49) GSK3AMAPK14SRCSYK
SCHEMBL22783213 0.77 GSK3A (0.79) GSK3AMAPK14SRCSYK
SCHEMBL6546818 0.77 GSK3A (0.61) 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-7241758-B2 Compounds useful as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed
US-7241758-B2 Compounds useful as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed