SCHEMBL6547080

SCHEMBL6547080

COc1c(NC(=O)Nc2ccc(Oc3ccnc(NCCc4ccccc4)n3)c3ccccc23)cc(C(C)(C)C)cc1NC1=NCCO1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 19/20 0.63
MAPK14 Q16539 5/20 0.63
SRC P12931 4/20 0.57
SYK P43405 4/20 0.57

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
SCHEMBL6840006 0.87 GSK3A (0.58) GSK3AMAPK14SRCSYK
SCHEMBL6545672 0.86 MAPK14 (0.59) GSK3AMAPK14SRCSYK
SCHEMBL6546256 0.85 GSK3A (0.69) GSK3AMAPK14SRCSYK
SCHEMBL6547073 0.85 MAPK14 (0.58) GSK3AMAPK14SRCSYK
SCHEMBL6546910 0.81 GSK3A (0.81) GSK3AMAPK14SRCSYK
SCHEMBL6546066 0.80 GSK3A (0.77) GSK3AMAPK14SRCSYK
SCHEMBL6545784 0.78 GSK3A (0.69) GSK3AMAPK14SRCSYK
SCHEMBL6298782 0.77 GSK3A (0.74) GSK3AMAPK14SRCSYK
SCHEMBL6545966 0.77 GSK3A (0.74) GSK3AMAPK14SRCSYK
SCHEMBL16829341 0.77 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1381592-A1 1,4-DISUBSTITUTED BENZO-FUSED COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-01-21 EP claimed
WO-2002083628-A1 1,4-DISUBSTITUTED BENZO-FUSED COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-10-24 WO claimed
EP-1381592-A1 1,4-DISUBSTITUTED BENZO-FUSED COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-01-21 EP disclosed
WO-2002083628-A1 1,4-DISUBSTITUTED BENZO-FUSED COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-10-24 WO disclosed