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SCHEMBL6545700

SCHEMBL6545700

CCN(c1ccccc1)c1ncnc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)cc(NS(C)(=O)=O)c3OC)c3ccccc23)n1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 13/20 0.55
▸ MAPK14 Q16539 12/20 0.55
▸ SRC P12931 12/20 0.54
▸ SYK P43405 12/20 0.54
▸ LCK P06239 2/20 0.54
▸ CXCL8 P10145 2/20 0.52
▸ CYP3A4 P08684 1/20 0.52

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 0.90 GSK3A (0.62) GSK3AMAPK14SRCSYKCXCL8
SCHEMBL6547707 0.89 MAPK14 (0.62) GSK3AMAPK14SRCSYKLCK
SCHEMBL6643809 0.87 MAPK14 (0.55) GSK3AMAPK14SRCSYKLCK
SCHEMBL6546894 0.85 GSK3A (0.59) GSK3AMAPK14SRCSYKLCK
SCHEMBL6546837 0.84 MAPK14 (0.61) GSK3AMAPK14SRCSYKLCK
SCHEMBL6547744 0.84 GSK3A (0.60) GSK3AMAPK14SRCSYKLCK
SCHEMBL6549090 0.84 MAPK14 (0.64) GSK3AMAPK14SRCSYKLCK
SCHEMBL6545702 0.82 GSK3A (0.58) GSK3AMAPK14SRCSYKLCK
SCHEMBL6545708 0.82 GSK3A (0.57) GSK3AMAPK14SRCSYKLCK
SCHEMBL6546714 0.82 MAPK14 (0.62) GSK3AMAPK14SRCSYKLCK

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
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