SCHEMBL4471391

SCHEMBL4471391

CCCCOc1nc(N)c2[nH]c(=O)n(CCCN(Cc3cccc(CC(=O)O)c3)C(=O)CN)c2n1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 19/20 0.61

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
SCHEMBL735775 0.93 TLR7 (0.71) TLR7
SCHEMBL4462501 0.92 TLR7 (0.61) TLR7
SCHEMBL4457533 0.92 TLR7 (0.59) TLR7
SCHEMBL4459360 0.92 TLR7 (0.59) TLR7
SCHEMBL4468070 0.91 TLR7 (0.58) TLR7
SCHEMBL4461136 0.91 TLR7 (0.57) TLR7
SCHEMBL731219 0.89 TLR7 (0.70) TLR7
SCHEMBL4130549 0.89 TLR7 (0.60) TLR7
SCHEMBL9936854 0.89 TLR7 (0.62) TLR7
SCHEMBL728851 0.88 TLR7 (0.62) 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