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SCHEMBL6545702

SCHEMBL6545702

COc1c(NC(=O)Nc2ccc(Oc3ncnc(NCCc4ccccc4)n3)c3ccccc23)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 16/20 0.58
▸ MAPK14 Q16539 10/20 0.55
▸ SRC P12931 9/20 0.54
▸ SYK P43405 9/20 0.54
▸ LCK P06239 1/20 0.54
▸ CXCL8 P10145 2/20 0.54
▸ CYP3A4 P08684 1/20 0.54

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
SCHEMBL6547744 0.94 GSK3A (0.60) GSK3AMAPK14SRCSYKLCK
SCHEMBL6546894 0.91 GSK3A (0.59) GSK3AMAPK14SRCSYKLCK
SCHEMBL6545708 0.89 GSK3A (0.57) GSK3AMAPK14SRCSYKLCK
SCHEMBL6546837 0.89 MAPK14 (0.61) GSK3AMAPK14SRCSYKLCK
SCHEMBL6546256 0.89 GSK3A (0.69) GSK3AMAPK14SRCSYKCXCL8
SCHEMBL6643812 0.86 GSK3A (0.57) GSK3AMAPK14SRCSYKCXCL8
SCHEMBL6546932 0.86 GSK3A (0.65) GSK3AMAPK14SRCSYKLCK
SCHEMBL6547812 0.86 GSK3A (0.58) GSK3AMAPK14SRCSYKLCK
SCHEMBL6547728 0.86 GSK3A (0.58) GSK3AMAPK14SRCSYKLCK
SCHEMBL6547720 0.86 GSK3A (0.58) 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