SCHEMBL28807387

SCHEMBL28807387

[CH2]CCn1c(COCC)nc2c(N)nc3ccccc3c21

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 9/20 0.75
TLR7 Q9NYK1 19/20 0.72
NUDT1 P36639 1/20 0.70

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
SCHEMBL25697382 0.91 TLR8 (0.78) TLR8TLR7NUDT1
SCHEMBL173461 0.90 TLR8 (0.81) TLR8TLR7NUDT1
SCHEMBL6098914 0.90 TLR8 (0.77) TLR8TLR7NUDT1
SCHEMBL1616206 0.90 TLR8 (0.84) TLR8TLR7NUDT1
SCHEMBL6502306 0.89 TLR8 (0.75) TLR8TLR7NUDT1
SCHEMBL3868221 0.89 TLR8 (0.75) TLR8TLR7NUDT1
Hydrochloric Acid SCHEMBL3863644 0.89 TLR8 (0.82) TLR8TLR7NUDT1
Hydrochloric Acid SCHEMBL6493853 0.89 TLR8 (0.82) TLR8TLR7NUDT1
SCHEMBL6495047 0.89 TLR8 (0.75) TLR8TLR7NUDT1
SCHEMBL18179114 0.88 TLR7 (0.79) TLR8TLR7NUDT1

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-103313725-A Adsorption of insoluble metal ions by immunopotentiators NOVARTIS AG 2013-09-18 CN disclosed