SCHEMBL726975

SCHEMBL726975

[CH2]CCCn1c(-c2ccccc2)nc2c(N)nc3ccccc3c21

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 18/20 0.52
TLR8 Q9NR97 6/20 0.50

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
SCHEMBL3816221 0.88 TLR7 (0.65) TLR7TLR8
SCHEMBL27764961 0.81 TLR7 (0.68) TLR7TLR8
SCHEMBL6107457 0.81 TLR7 (0.50) TLR7TLR8
SCHEMBL728302 0.79 TLR7 (0.75) TLR7TLR8
SCHEMBL728266 0.79 TLR7 (0.80) TLR7TLR8
Water SCHEMBL10736495 0.78 TLR7 (0.58) TLR7TLR8
SCHEMBL10738089 0.77 TLR7 (0.54) TLR7TLR8
SCHEMBL28413158 0.77 TLR7 (0.71) TLR7TLR8
SCHEMBL5746883 0.77 TLR7 (0.61) TLR7TLR8
SCHEMBL5347638 0.77 TLR7 (0.53) TLR7TLR8

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
JP-4833466-B2 2011-12-07 JP claimed
EP-1198233-B1 SULFONAMIDE AND SULFAMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-08-16 EP claimed
EP-1198233-A4 SULFONAMIDE AND SULFAMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2002-07-24 EP claimed
EP-1198233-A1 SULFONAMIDE AND SULFAMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2002-04-24 EP claimed
WO-2000076519-A1 SULFONAMIDE AND SULFAMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-12-21 WO claimed