SCHEMBL28873196

SCHEMBL28873196

CCCCC(CCSC)Nc1nc(N)nc(C)c1Cc1cc(C(=O)OC)ccc1OC

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.61
TLR8 Q9NR97 1/20 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
SCHEMBL20223434 1.00 TLR7 (0.61) TLR7TLR8
SCHEMBL20212147 0.93 TLR7 (0.63) TLR7
SCHEMBL20212146 0.93 TLR7 (0.63) TLR7
SCHEMBL31410723 0.93 TLR7 (0.63) TLR7
SCHEMBL31410721 0.93 TLR7 (0.63) TLR7
SCHEMBL20223071 0.93 TLR7 (0.63) TLR7
SCHEMBL20212309 0.88 TLR7 (0.66) TLR7TLR8
SCHEMBL31410725 0.88 TLR7 (0.66) TLR7TLR8
SCHEMBL20212311 0.88 TLR7 (0.66) TLR7TLR8
SCHEMBL20223089 0.87 TLR7 (0.75) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110177780-B Pyrimidine compounds containing acidic groups 阿普罗斯治疗公司 2022-11-01 CN disclosed