SCHEMBL4457811

SCHEMBL4457811

CCCCOc1nc(N)c2[nH]c(=O)n(CCCc3cc(CNC(=O)CN(CCC(=O)O)C4CCS(=O)(=O)C4)ccc3CC(=O)OC)c2n1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.51
IL6 P05231 5/20 0.42

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
SCHEMBL728863 0.84 TLR7 (0.54) TLR7IL6
SCHEMBL4556905 0.79 TLR7 (0.57) TLR7IL6
SCHEMBL4558355 0.77 TLR7 (0.56) TLR7
SCHEMBL728931 0.74 TLR7 (0.58) TLR7IL6
SCHEMBL13902599 0.72 TLR7 (0.67) TLR7
SCHEMBL13902607 0.71 TLR7 (0.64) TLR7
SCHEMBL13902617 0.71 TLR7 (0.64) TLR7
SCHEMBL4103120 0.71 TLR7 (0.61) TLR7
SCHEMBL729272 0.71 TLR7 (0.56) TLR7IL6
SCHEMBL13902570 0.71 TLR7 (0.67) 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 claimed
WO-2008004948-A1 8-OXOADENINE DERIVATIVES ACTING AS MODULATORS OF TLR7 ASTRAZENECA AB (SE) 2008-01-10 WO claimed