SCHEMBL731539

SCHEMBL731539

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

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.53
IL6 P05231 2/20 0.48

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
SCHEMBL730707 1.00 TLR7 (0.53) TLR7IL6
SCHEMBL730722 0.91 TLR7 (0.54) TLR7IL6
SCHEMBL730706 0.89 TLR7 (0.53) TLR7IL6
SCHEMBL729585 0.89 TLR7 (0.53) TLR7IL6
SCHEMBL728856 0.87 TLR7 (0.51) TLR7IL6
SCHEMBL729193 0.86 TLR7 (0.52) TLR7IL6
SCHEMBL728865 0.86 TLR7 (0.55) TLR7IL6
SCHEMBL729610 0.84 TLR7 (0.56) TLR7IL6
SCHEMBL4557942 0.84 TLR7 (0.51) TLR7IL6
SCHEMBL730768 0.83 TLR7 (0.63) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138172-B2 8-oxoadenine derivatives acting as modulators of TLR7 ASTRAZENECA AB (SE) 2012-03-20 US claimed