Sugi Predict

Sugi Predict / Compounds / SCHEMBL6546226

SCHEMBL6546226

SCHEMBL6546226

COc1ncnc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)cc(NS(C)(=O)=O)c3OC)c3ccccc23)n1.c1cc2ccc1CN2

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 15/20 0.57
▸ MAPK14 Q16539 15/20 0.55
▸ SRC P12931 14/20 0.54
▸ SYK P43405 14/20 0.54
▸ LCK P06239 2/20 0.54
▸ 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
SCHEMBL6547707 0.85 MAPK14 (0.62) GSK3AMAPK14SRCSYKLCK
SCHEMBL6546837 0.84 MAPK14 (0.61) GSK3AMAPK14SRCSYKLCK
SCHEMBL6549090 0.84 MAPK14 (0.64) GSK3AMAPK14SRCSYKLCK
SCHEMBL6546894 0.82 GSK3A (0.59) GSK3AMAPK14SRCSYKLCK
SCHEMBL6546714 0.82 MAPK14 (0.62) GSK3AMAPK14SRCSYKLCK
SCHEMBL6547744 0.81 GSK3A (0.60) GSK3AMAPK14SRCSYKLCK
SCHEMBL6545700 0.81 GSK3A (0.55) GSK3AMAPK14SRCSYKLCK
SCHEMBL6545708 0.80 GSK3A (0.57) GSK3AMAPK14SRCSYKLCK
SCHEMBL6546129 0.80 MAPK14 (0.62) GSK3AMAPK14SRCSYKLCK
SCHEMBL6546724 0.80 GSK3A (0.63) 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