SCHEMBL4872859

SCHEMBL4872859

CCCCc1nc2c(N)ncc(C)c2n1CCCCS(=O)(=O)Nc1ccc(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 12/20 0.40
TLR8 Q9NR97 6/20 0.40
PIK3CA P42336 1/20 0.36
LMNA P02545 1/20 0.36
BRAF P15056 1/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
PI4KA P42356 1/20 0.35
PIK3CG P48736 1/20 0.35

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
SCHEMBL4864724 0.97 TLR8 (0.39) TLR7TLR8PIK3CALMNABRAF
SCHEMBL4793675 0.86 TLR7 (0.42) TLR7TLR8
SCHEMBL4790933 0.85 TLR7 (0.41) TLR7TLR8ALOX5APFEN1
SCHEMBL4792552 0.83 TLR7 (0.40) TLR7TLR8
SCHEMBL4882511 0.83 TLR7 (0.48) TLR7TLR8
SCHEMBL4877651 0.83 TLR7 (0.41) TLR7TLR8
SCHEMBL4875546 0.82 EDNRA (0.37) PIK3CABRAFPI4KAPIK3CG
SCHEMBL4790566 0.81 TLR7 (0.36) TLR7TLR8PIK3CAALOX5APFEN1
SCHEMBL4880838 0.81 TLR7 (0.35) TLR7TLR8PIK3CAPIK3CG
SCHEMBL5343016 0.81 TLR7 (0.36) TLR7TLR8PIK3CAALOX5APFEN1

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