SCHEMBL4465747

SCHEMBL4465747

CCCCOc1nc(N)c2[nH]c(=O)n(CCCN(Cc3cccc(CC(=O)O)c3)C(=O)C3CCN(C)CC3)c2n1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.55
TLR8 Q9NR97 2/20 0.50

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
SCHEMBL4558141 0.94 TLR7 (0.54) TLR7TLR8
SCHEMBL735774 0.93 TLR7 (0.65) TLR7TLR8
SCHEMBL729611 0.90 TLR7 (0.57) TLR7TLR8
SCHEMBL4116748 0.89 TLR7 (0.56) TLR7TLR8
SCHEMBL4462501 0.88 TLR7 (0.61) TLR7
SCHEMBL735761 0.87 TLR7 (0.64) TLR7TLR8
SCHEMBL4103001 0.87 TLR7 (0.55) TLR7TLR8
SCHEMBL4471391 0.87 TLR7 (0.61) TLR7
SCHEMBL4104007 0.86 TLR7 (0.57) TLR7
SCHEMBL4132555 0.86 TLR7 (0.63) TLR7TLR8

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