SCHEMBL5823016

SCHEMBL5823016

CCOCc1nc2c(N)nc3c(c2n1C(C)CCCS(N)(=O)=O)CCCC3

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 5/20 0.33
TLR8 Q9NR97 3/20 0.31
NUDT1 P36639 1/20 0.30

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 0.82 TLR8 (0.39) TLR7TLR8NUDT1
SCHEMBL4317813 0.81 TLR8 (0.38) TLR7TLR8NUDT1
SCHEMBL5823019 0.79 TLR8 (0.36) TLR7TLR8NUDT1
SCHEMBL5355397 0.78 TLR8 (0.39) TLR7TLR8NUDT1
SCHEMBL3866877 0.75 TLR7 (0.51) TLR7TLR8NUDT1
SCHEMBL29374514 0.74 TLR7 (0.37) TLR7TLR8NUDT1
SCHEMBL4753517 0.74 TLR7 (0.37) TLR7TLR8NUDT1
SCHEMBL5823013 0.73 TLR8 (0.36) TLR7TLR8NUDT1
SCHEMBL4315451 0.73 TLR8 (0.36) TLR7TLR8NUDT1
SCHEMBL3862298 0.72 TLR7 (0.51) 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 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