SCHEMBL4464963

SCHEMBL4464963

CCCCOc1nc(N)c2[nH]c(=O)n(CCCNCc3ccc(CC(=O)O)cc3)c2n1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.66
IL6 P05231 17/20 0.66

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
SCHEMBL4464900 0.93 TLR7 (0.66) TLR7IL6
SCHEMBL2385689 0.92 TLR7 (0.75) TLR7IL6
SCHEMBL1344409 0.91 TLR7 (0.73) TLR7IL6
SCHEMBL5518125 0.90 TLR7 (0.65) TLR7IL6
SCHEMBL2390976 0.89 TLR7 (0.77) TLR7IL6
SCHEMBL731555 0.89 TLR7 (0.63) TLR7IL6
SCHEMBL2387779 0.88 TLR7 (0.67) TLR7IL6
SCHEMBL2387854 0.87 TLR7 (0.67) TLR7IL6
SCHEMBL17473813 0.86 TLR7 (0.62) TLR7IL6
SCHEMBL2389359 0.86 TLR7 (0.66) 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 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