SCHEMBL5808353

SCHEMBL5808353

CCOCc1nc2c(N)nc3cc(OCCCOC(N)=O)ccc3c2n1NC(C)C

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 19/20 0.45
TLR8 Q9NR97 12/20 0.42
NUDT1 P36639 1/20 0.39

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
SCHEMBL5412089 0.90 TLR7 (0.43) TLR7TLR8NUDT1
SCHEMBL5421543 0.88 TLR7 (0.49) TLR7TLR8NUDT1
SCHEMBL5404898 0.88 TLR7 (0.45) TLR7TLR8NUDT1
SCHEMBL5412082 0.88 TLR7 (0.43) TLR7TLR8NUDT1
SCHEMBL5410358 0.85 TLR7 (0.45) TLR7TLR8NUDT1
SCHEMBL6804549 0.84 TLR7 (0.51) TLR7TLR8NUDT1
SCHEMBL4755703 0.82 TLR7 (0.49) TLR7TLR8NUDT1
SCHEMBL4757773 0.81 TLR7 (0.55) TLR7TLR8NUDT1
SCHEMBL544735 0.76 TLR7 (0.62) TLR7TLR8NUDT1
SCHEMBL6248093 0.73 TLR7 (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006028451-A1 1-AMINO 1-H-IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 WO disclosed