SCHEMBL6547129

SCHEMBL6547129

COC(=O)Nc1cc(C(C)(C)C)cc(NC(=O)Nc2ccc(Oc3ccnc(Oc4ccncc4)c3)c3ccccc23)c1OC

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.59
SRC P12931 17/20 0.59
GSK3A P49840 15/20 0.59
SYK P43405 16/20 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
SCHEMBL6547546 0.96 MAPK14 (0.62) MAPK14SRCGSK3ASYK
SCHEMBL6545663 0.91 GSK3A (0.70) MAPK14SRCGSK3ASYK
SCHEMBL6546930 0.88 MAPK14 (0.63) MAPK14SRCGSK3ASYK
SCHEMBL6546404 0.87 MAPK14 (0.63) MAPK14SRCGSK3ASYK
SCHEMBL6545963 0.86 GSK3A (0.73) MAPK14SRCGSK3ASYK
SCHEMBL14459485 0.86 MAPK14 (0.60) MAPK14SRCGSK3ASYK
SCHEMBL5248201 0.85 MAPK14 (0.67) MAPK14SRCGSK3ASYK
SCHEMBL6546233 0.85 MAPK14 (0.61) MAPK14SRCGSK3ASYK
SCHEMBL6841105 0.85 MAPK14 (0.59) MAPK14SRCGSK3ASYK
SCHEMBL6547267 0.85 MAPK14 (0.59) MAPK14SRCGSK3ASYK

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 5 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
US-6765009-B2 N-(5-TERT-BUTYL-3-(3-(4-((2-DIMETHYLAMINOMETHYL-PYRIDIN-4-YL) -PIPERAZIN-1-YL-METHYL) NAPHTHALEN-1-YL)UREIDO)-2-METHOXYPHENYL) METHANESULFONAMIDE FOR EXAMPLE; CYTOKINE INHIBITORS FOR TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-07-20 US disclosed
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