SCHEMBL4457541

SCHEMBL4457541

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

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.56
IL6 P05231 1/20 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
SCHEMBL4557740 0.94 TLR7 (0.57) TLR7IL6
SCHEMBL735456 0.93 TLR7 (0.67) TLR7IL6
SCHEMBL3280954 0.91 TLR7 (0.61) TLR7IL6
SCHEMBL729585 0.90 TLR7 (0.53) TLR7IL6
SCHEMBL2486310 0.88 TLR7 (0.62) TLR7IL6
SCHEMBL1342709 0.88 TLR7 (0.61) TLR7IL6
SCHEMBL735762 0.87 TLR7 (0.70) TLR7IL6
SCHEMBL4461126 0.87 TLR7 (0.58) TLR7IL6
SCHEMBL730706 0.87 TLR7 (0.53) TLR7IL6
SCHEMBL1344705 0.87 TLR7 (0.62) 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