SCHEMBL5780340

SCHEMBL5780340

COc1ccc(Cc2nc3c(N)nc4ccccc4c3n2CCCCc2cccnc2C(N)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 19/20 0.52
TLR8 Q9NR97 4/20 0.47

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
SCHEMBL3865260 0.88 TLR7 (0.53) TLR7TLR8
SCHEMBL5747684 0.88 TLR7 (0.52) TLR7TLR8
SCHEMBL5746842 0.85 TLR7 (0.53) TLR7TLR8
SCHEMBL4864838 0.84 TLR7 (0.58) TLR7TLR8
SCHEMBL5749695 0.82 TLR7 (0.53) TLR7TLR8
SCHEMBL5351173 0.82 TLR7 (0.56) TLR7TLR8
Trifluoroacetic Acid SCHEMBL3867246 0.81 TLR7 (0.53) TLR7TLR8
SCHEMBL3817997 0.81 TLR7 (0.65) TLR7TLR8
SCHEMBL5746159 0.81 TLR7 (0.53) TLR7TLR8
SCHEMBL4864846 0.81 TLR7 (0.56) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187613-B9 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-10-25 EP claimed
EP-1187613-B1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-08-09 EP claimed
US-6451810-B1 AID IN CYTOKINE BIOSYNTHESIS 3M INNOVATIVE PROPERTIES COMPANY 2002-09-17 US claimed