SCHEMBL14459482

SCHEMBL14459482

COc1c(NC(=O)Nc2ccc(Oc3ccncc3)c3ccccc23)cc(C(C)(C)C)cc1C(N)=O

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 17/20 0.68
MAPK14 Q16539 18/20 0.67
SRC P12931 17/20 0.67
SYK P43405 14/20 0.67

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
SCHEMBL6840076 0.90 GSK3A (0.67) GSK3AMAPK14SRCSYK
SCHEMBL14459485 0.88 MAPK14 (0.60) GSK3AMAPK14SRCSYK
SCHEMBL5250671 0.88 GSK3A (0.55) GSK3AMAPK14SRCSYK
SCHEMBL14459488 0.86 MAPK14 (0.60) GSK3AMAPK14SRCSYK
SCHEMBL6298751 0.83 GSK3A (0.67) GSK3AMAPK14SRCSYK
SCHEMBL6547129 0.82 MAPK14 (0.59) GSK3AMAPK14SRCSYK
SCHEMBL17652817 0.82 GSK3A (1.00) GSK3AMAPK14SRCSYK
SCHEMBL17652755 0.82 GSK3A (0.90) GSK3AMAPK14SRCSYK
SCHEMBL14459484 0.81 GSK3A (0.62) GSK3AMAPK14SRCSYK
SCHEMBL16106344 0.81 GSK3A (1.00) GSK3AMAPK14SRCSYK

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