SCHEMBL4461841

SCHEMBL4461841

CCCCOc1nc(N)c2[nH]c(=O)n(CCCN(Cc3ccc(CC(=O)O)cc3)C(=O)CN3CCN(CCO)CC3)c2n1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.58
TLR8 Q9NR97 3/20 0.56
IL6 P05231 2/20 0.48

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
SCHEMBL4461126 0.94 TLR7 (0.58) TLR7IL6
SCHEMBL734230 0.93 TLR7 (0.62) TLR7TLR8
SCHEMBL4461174 0.91 TLR7 (0.54) TLR7TLR8IL6
SCHEMBL729610 0.91 TLR7 (0.56) TLR7TLR8IL6
SCHEMBL728849 0.88 TLR7 (0.65) TLR7
SCHEMBL729564 0.88 TLR7 (0.59) TLR7TLR8
SCHEMBL1344790 0.88 TLR7 (0.61) TLR7IL6
SCHEMBL731450 0.88 TLR7 (0.62) TLR7TLR8
SCHEMBL734225 0.88 TLR7 (0.64) TLR7
SCHEMBL731272 0.87 TLR7 (0.61) TLR7

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-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