SCHEMBL5820003

SCHEMBL5820003

CCCCc1nc2c(N)nc3ccc(OCCC4CCNCC4)cc3c2n1S(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.42
TLR8 Q9NR97 7/20 0.41

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
SCHEMBL4243550 0.88 TLR7 (0.45) TLR7TLR8
SCHEMBL4240292 0.82 TLR7 (0.42) TLR7TLR8
SCHEMBL4245516 0.77 TLR7 (0.43) TLR7TLR8
SCHEMBL5617750 0.75 TLR7 (0.46) TLR7TLR8
SCHEMBL4240762 0.74 TLR7 (0.41) TLR7TLR8
SCHEMBL4239777 0.74 TLR7 (0.59) TLR7TLR8
SCHEMBL4245381 0.74 CHEK2 (0.47) TLR7TLR8
SCHEMBL4243096 0.74 TLR7 (0.44) TLR7TLR8
SCHEMBL4239881 0.73 TLR7 (0.46) TLR7TLR8
SCHEMBL20801380 0.69 TLR7 (0.81) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005032484-A9 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO (US) 2006-05-18 WO disclosed