SCHEMBL2388747

SCHEMBL2388747

CCCCOc1nc(N)c2[nH]c(=O)n(CCNCc3cccc(C(C)C(=O)O)c3)c2n1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.69
IL6 P05231 8/20 0.57

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
SCHEMBL730740 0.96 TLR7 (0.68) TLR7IL6
SCHEMBL2388578 0.95 TLR7 (0.67) TLR7IL6
SCHEMBL2388748 0.88 TLR7 (0.65) TLR7IL6
SCHEMBL731555 0.88 TLR7 (0.63) TLR7IL6
SCHEMBL2387779 0.87 TLR7 (0.67) TLR7IL6
SCHEMBL2388529 0.86 TLR7 (0.65) TLR7
SCHEMBL2390888 0.86 TLR7 (0.62) TLR7
SCHEMBL2391126 0.85 TLR7 (0.66) TLR7
SCHEMBL12048828 0.85 TLR7 (0.79) TLR7IL6
SCHEMBL5964658 0.84 TLR7 (0.70) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012964-B2 9-substituted 8-oxoadenine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-06 US disclosed