SCHEMBL4252345

SCHEMBL4252345

CCOCc1nc2c(N)nc3cc(OCc4ccccc4)ccc3c2n1CC(C)(C)N(C(N)=O)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.55
TLR8 Q9NR97 12/20 0.55
NUDT1 P36639 1/20 0.55

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
SCHEMBL4236316 0.88 TLR7 (0.41) TLR7TLR8NUDT1
SCHEMBL4241225 0.87 TLR7 (0.52) TLR7TLR8NUDT1
SCHEMBL4246882 0.87 TLR7 (0.59) TLR7TLR8NUDT1
SCHEMBL1486446 0.86 TLR7 (0.75) TLR7TLR8NUDT1
SCHEMBL1486608 0.84 TLR7 (0.58) TLR7TLR8NUDT1
SCHEMBL1486734 0.84 TLR7 (0.53) TLR7TLR8NUDT1
SCHEMBL4246425 0.83 TLR7 (0.47) TLR7TLR8NUDT1
SCHEMBL1486589 0.82 TLR7 (0.56) TLR7TLR8NUDT1
SCHEMBL1486528 0.82 TLR7 (0.69) TLR7TLR8NUDT1
SCHEMBL4239737 0.82 TLR7 (0.36) TLR7TLR8NUDT1

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-1658076-A4 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2009-02-25 EP disclosed
EP-1658076-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2006-05-24 EP disclosed
WO-2005020999-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-10 WO disclosed