SCHEMBL6545897

SCHEMBL6545897

COC(=O)Nc1cc(C(C)(C)C)cc(NC(=O)Nc2ccc(Oc3ccnc(CCN(C)C)c3)c3ccccc23)c1OC

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.59
SRC P12931 15/20 0.59
SYK P43405 13/20 0.59
GSK3A P49840 13/20 0.59

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
SCHEMBL6545890 0.93 GSK3A (0.61) MAPK14SRCSYKGSK3A
SCHEMBL6546233 0.91 MAPK14 (0.61) MAPK14SRCSYKGSK3A
SCHEMBL6547053 0.91 SRC (0.71) MAPK14SRCSYKGSK3A
SCHEMBL6545687 0.88 MAPK14 (0.58) MAPK14SRCSYKGSK3A
SCHEMBL6546655 0.87 GSK3A (0.61) MAPK14SRCSYKGSK3A
SCHEMBL6547592 0.86 GSK3A (0.60) MAPK14SRCSYKGSK3A
SCHEMBL6546930 0.86 MAPK14 (0.63) MAPK14SRCSYKGSK3A
SCHEMBL6546880 0.86 GSK3A (0.56) MAPK14SRCSYKGSK3A
SCHEMBL6546312 0.86 SRC (0.60) MAPK14SRCSYKGSK3A
SCHEMBL6545894 0.86 MAPK14 (0.59) MAPK14SRCSYKGSK3A

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