SCHEMBL5823019

SCHEMBL5823019

CCOCc1nc2c(N)nc3c(c2n1CCCC(C)S(N)(=O)=O)CCCC3

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 8/20 0.36
TLR7 Q9NYK1 18/20 0.36
NUDT1 P36639 1/20 0.33

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
SCHEMBL4316433 0.87 TLR8 (0.39) TLR8TLR7NUDT1
SCHEMBL4317813 0.86 TLR8 (0.38) TLR8TLR7NUDT1
SCHEMBL5355397 0.85 TLR8 (0.39) TLR8TLR7NUDT1
SCHEMBL3966988 0.83 TLR8 (0.46) TLR8TLR7NUDT1
SCHEMBL3966915 0.82 TLR7 (0.46) TLR8TLR7NUDT1
SCHEMBL5823013 0.81 TLR8 (0.36) TLR8TLR7NUDT1
SCHEMBL4315451 0.81 TLR8 (0.36) TLR8TLR7NUDT1
SCHEMBL3162683 0.81 TLR8 (0.40) TLR8TLR7NUDT1
SCHEMBL3179561 0.81 TLR8 (0.42) TLR8TLR7NUDT1
SCHEMBL5823016 0.79 TLR7 (0.33) TLR8TLR7NUDT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1699788-A2 IMIDAZOQUINOLINYL, IMIDAZOPYRIDINYL AND IMIDAZONAPHTHYRIDINYL SULFONAMIDES 3M Innovative Properties Company (US) 2006-09-13 EP disclosed
WO-2005066169-A2 IMIDAZOQUINOLINYL, IMIDAZOPYRIDINYL, AND IMIDAZONAPHTHYRIDINYL SULFONAMIDES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-07-21 WO disclosed