SCHEMBL544239

SCHEMBL544239

CCCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)NS(C)(=O)=O

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.61
TLR8 Q9NR97 5/20 0.61
NUDT1 P36639 1/20 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
SCHEMBL4552672 0.94 TLR7 (0.70) TLR7TLR8
SCHEMBL2744508 0.91 TLR7 (0.57) TLR7TLR8NUDT1
SCHEMBL3862211 0.90 TLR7 (0.53) TLR7TLR8NUDT1
SCHEMBL2744527 0.89 TLR7 (0.54) TLR7TLR8NUDT1
SCHEMBL2744179 0.89 TLR7 (0.56) TLR7TLR8NUDT1
SCHEMBL29421427 0.87 TLR7 (0.73) TLR7TLR8NUDT1
SCHEMBL1616712 0.87 TLR7 (0.73) TLR7TLR8NUDT1
SCHEMBL29421426 0.87 TLR7 (0.73) TLR7TLR8NUDT1
Water SCHEMBL4531043 0.87 TLR7 (0.72) TLR7TLR8NUDT1
SCHEMBL841878 0.86 TLR7 (0.52) 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
US-8110582-B2 by administering immune response modifier compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-02-07 US disclosed
US-20040175336-A1 Prophylactic treatment of UV-induced epidermal neoplasia 3M INNOVATIVE PROPERTIES COMPANY 2004-09-09 US disclosed