SCHEMBL6545585

SCHEMBL6545585

CCN(c1ccccc1)c1nccc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)cc(NC(=O)OC)c3OC)c3ccccc23)n1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.64
GSK3A P49840 19/20 0.58
SRC P12931 7/20 0.58
SYK P43405 6/20 0.58

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
SCHEMBL6546088 0.91 GSK3A (0.62) MAPK14GSK3ASRCSYK
SCHEMBL6547073 0.88 MAPK14 (0.58) MAPK14GSK3ASRCSYK
SCHEMBL6546904 0.84 MAPK14 (0.64) MAPK14GSK3ASRCSYK
SCHEMBL6546910 0.83 GSK3A (0.81) MAPK14GSK3ASRCSYK
SCHEMBL6643868 0.83 GSK3A (0.58) MAPK14GSK3ASRCSYK
SCHEMBL6545938 0.83 GSK3A (0.65) MAPK14GSK3ASRCSYK
SCHEMBL6643809 0.83 MAPK14 (0.55) MAPK14GSK3ASRCSYK
SCHEMBL6547267 0.81 MAPK14 (0.59) MAPK14GSK3ASRCSYK
SCHEMBL6545700 0.81 GSK3A (0.55) MAPK14GSK3ASRCSYK
SCHEMBL6841069 0.81 GSK3A (0.64) MAPK14GSK3ASRCSYK

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