SCHEMBL2389902

SCHEMBL2389902

CCCCOc1nc(N)c2[nH]c(=O)n(CCCCN(CCN3CCOCC3)Cc3cccc(C(C)C(=O)O)c3)c2n1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.63
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
SCHEMBL1243814 0.98 TLR7 (0.62) TLR7IL6
SCHEMBL1244962 0.97 TLR7 (0.65) TLR7IL6
SCHEMBL1244771 0.96 TLR7 (0.65) TLR7IL6
SCHEMBL2389795 0.90 TLR7 (0.66) TLR7IL6
SCHEMBL2387027 0.89 TLR7 (0.62) TLR7
SCHEMBL2843218 0.88 TLR7 (0.65) TLR7IL6
SCHEMBL5964498 0.88 TLR7 (0.64) TLR7IL6
SCHEMBL12048826 0.88 TLR7 (0.64) TLR7
SCHEMBL2390244 0.88 TLR7 (0.68) TLR7IL6
SCHEMBL2389070 0.87 TLR7 (0.63) 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-1728793-B1 9-SUBSTITUTED 8-OXOADENINE COMPOUND SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2016-02-03 EP claimed
US-8012964-B2 9-substituted 8-oxoadenine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-06 US disclosed