SCHEMBL19940969

SCHEMBL19940969

CCCCC(C)(CNC(C)=O)Nc1nc(N)nc2cc(O)cnc12

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 19/20 0.60
▸ TLR7 Q9NYK1 8/20 0.51
▸ NLRP3 Q96P20 1/20 0.32

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
SCHEMBL19940722 1.00 TLR8 (0.60) TLR8TLR7NLRP3
SCHEMBL18125192 0.91 TLR8 (0.61) TLR8TLR7NLRP3
SCHEMBL18923203 0.91 TLR8 (0.61) TLR8TLR7NLRP3
SCHEMBL18109286 0.90 TLR8 (0.74) TLR8TLR7NLRP3
SCHEMBL18109289 0.90 TLR8 (0.74) TLR8TLR7NLRP3
SCHEMBL18109714 0.89 TLR8 (0.75) TLR8TLR7NLRP3
SCHEMBL18109715 0.89 TLR8 (0.75) TLR8TLR7NLRP3
SCHEMBL19991825 0.89 TLR8 (0.59) TLR8TLR7NLRP3
SCHEMBL18109542 0.89 TLR8 (0.75) TLR8TLR7NLRP3
SCHEMBL18109545 0.89 TLR8 (0.75) TLR8TLR7NLRP3

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
WO-2018045150-A1 4,6-DIAMINO-PYRIDO[3,2-D]PYRIMIDINE DERIVATIES AS TOLL LIKE RECEPTOR MODULATORS GILEAD SCIENCES, INC. (US) 2018-03-08 — — WO disclosed
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