SCHEMBL28627809

SCHEMBL28627809

CCC[C@@H](CO)Nc1nc(N)nc(C)c1Cc1ccc(C(=O)N2CCN(C(=O)O)CC2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 11/20 0.67
TLR7 Q9NYK1 16/20 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
SCHEMBL20515185 1.00 TLR8 (0.67) TLR8TLR7
SCHEMBL29402811 0.90 TLR8 (0.62) TLR8TLR7
SCHEMBL21667488 0.90 TLR8 (0.62) TLR8TLR7
SCHEMBL3708640 0.88 TLR7 (0.75) TLR8TLR7
SCHEMBL861450 0.88 TLR7 (0.75) TLR8TLR7
SCHEMBL8773395 0.86 TLR7 (0.75) TLR8TLR7
SCHEMBL16568536 0.86 TLR7 (0.75) TLR8TLR7
SCHEMBL21854560 0.86 TLR8 (0.50) TLR8TLR7
SCHEMBL21640816 0.84 TLR8 (0.56) TLR8TLR7
SCHEMBL21640815 0.84 TLR8 (0.56) TLR8TLR7

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
CN-108290845-B Pyrimidine compounds 大日本住友制药株式会社 2021-08-03 CN disclosed
CN-110650729-A Vaccine adjuvant formulations 大日本住友制药株式会社 2020-01-03 CN disclosed