SCHEMBL4455874

SCHEMBL4455874

CCCCOc1nc(N)c2[nH]c(=O)n(CCCC3CN(CC(=O)NCc4ccc(CC(=O)OC)cc4)CCC3CN)c2n1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.58
IL6 P05231 3/20 0.49
TLR8 Q9NR97 3/20 0.49

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
SCHEMBL4457773 0.96 TLR7 (0.58) TLR7IL6TLR8
SCHEMBL4456775 0.95 TLR7 (0.58) TLR7IL6TLR8
SCHEMBL4471508 0.93 TLR7 (0.59) TLR7IL6TLR8
SCHEMBL4462512 0.90 TLR7 (0.56) TLR7IL6TLR8
SCHEMBL4556721 0.87 TLR7 (0.60) TLR7IL6TLR8
SCHEMBL4461861 0.87 TLR7 (0.58) TLR7TLR8
SCHEMBL4558140 0.86 TLR7 (0.56) TLR7IL6TLR8
SCHEMBL4454031 0.85 TLR7 (0.56) TLR7IL6
SCHEMBL4462564 0.84 TLR7 (0.56) TLR7IL6
SCHEMBL4459469 0.83 TLR7 (0.54) TLR7IL6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041135-A1 8-OXOADENINE DERIVATIVES ACTING AS MODULATORS OF TLR7 Astra Zeneca AB (SE) 2009-04-01 EP claimed
WO-2008004948-A1 8-OXOADENINE DERIVATIVES ACTING AS MODULATORS OF TLR7 ASTRAZENECA AB (SE) 2008-01-10 WO claimed
EP-2041135-A1 8-OXOADENINE DERIVATIVES ACTING AS MODULATORS OF TLR7 Astra Zeneca AB (SE) 2009-04-01 EP disclosed
WO-2008004948-A1 8-OXOADENINE DERIVATIVES ACTING AS MODULATORS OF TLR7 ASTRAZENECA AB (SE) 2008-01-10 WO disclosed