SCHEMBL4876728

SCHEMBL4876728

CCc1nc2c(N)nc(C)c(C)c2n1CCCS(=O)(=O)Nc1ccc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 6/20 0.40
HSP90B1 P14625 2/20 0.33
TLR8 Q9NR97 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
SLC40A1 Q9NP59 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTGES2 Q9H7Z7 2/20 0.32
PPARG P37231 1/20 0.31
BRAF P15056 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MCL1 Q07820 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL4883115 0.93 TLR7 (0.38) TLR7TLR8PTGES2
SCHEMBL4868653 0.92 TLR7 (0.43) TLR7TLR8
SCHEMBL4873557 0.90 TLR7 (0.43) TLR7TLR8
SCHEMBL4870522 0.89 TLR7 (0.42) TLR7TLR8
SCHEMBL4879324 0.89 TLR7 (0.35) TLR7HSP90B1TLR8SLC40A1
SCHEMBL4876740 0.87 TLR7 (0.36) TLR7TLR8PTGES2PPARGBRAF
SCHEMBL4791912 0.87 TLR7 (0.35) TLR7HSP90B1TLR8
SCHEMBL4792880 0.84 TLR7 (0.40) TLR7HSP90B1TLR8SLC40A1
SCHEMBL4790610 0.82 TLR7 (0.41) TLR7HSP90B1TLR8SLC40A1
SCHEMBL4877536 0.82 YTHDC1 (0.39) HSP90B1PIK3CDPIK3CAPIK3CBPIK3CG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513524-A4 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2008-09-03 EP disclosed
EP-1513524-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M Innovative Properties Company (US) 2005-03-16 EP disclosed
WO-2003103584-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-12-18 WO disclosed