SCHEMBL4558355

SCHEMBL4558355

CCCCOc1nc(N)c2[nH]c(=O)n(CCCc3cc(CNC(=O)CN4CCN(C(=O)OCC)CC4)ccc3CC(=O)OC)c2n1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.56

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
SCHEMBL729200 0.81 TLR7 (0.60) TLR7
SCHEMBL4556905 0.79 TLR7 (0.57) TLR7
SCHEMBL4461861 0.78 TLR7 (0.58) TLR7
SCHEMBL4471508 0.78 TLR7 (0.59) TLR7
SCHEMBL4557933 0.77 TLR7 (0.60) TLR7
SCHEMBL4467357 0.77 TLR7 (0.60) TLR7
SCHEMBL4456775 0.77 TLR7 (0.58) TLR7
SCHEMBL4455874 0.77 TLR7 (0.58) TLR7
SCHEMBL4457811 0.77 TLR7 (0.51) TLR7
SCHEMBL4454031 0.77 TLR7 (0.56) 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