SCHEMBL4245908

SCHEMBL4245908

CCCCc1nc2c(N)nc3ccc(OCc4ccccc4)cc3c2n1CCCCN(C(N)=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.53
TLR8 Q9NR97 2/20 0.52

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
Hydrochloric Acid SCHEMBL4239461 0.92 TLR7 (0.47) TLR7
SCHEMBL1486607 0.91 TLR7 (0.52) TLR7TLR8
SCHEMBL4244732 0.88 TLR7 (0.43) TLR7
SCHEMBL1486637 0.85 TLR7 (0.69) TLR7TLR8
SCHEMBL1961264 0.84 TLR7 (0.51) TLR7TLR8
SCHEMBL1486603 0.83 TLR7 (0.62) TLR7TLR8
SCHEMBL5129550 0.82 TLR7 (0.62) TLR7TLR8
SCHEMBL1486495 0.82 TLR7 (0.54) TLR7TLR8
SCHEMBL1486670 0.81 TLR7 (0.61) TLR7TLR8
SCHEMBL1962598 0.81 TLR7 (0.49) 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-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