SCHEMBL22368542

SCHEMBL22368542

C=C(C)NC[C@@](C)(CCCC)Nc1nc(N)nc2cc(CC)cnc12

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 16/20 0.60
▸ TLR7 Q9NYK1 5/20 0.51
▸ KCNH2 Q12809 3/20 0.39
▸ HRH4 Q9H3N8 3/20 0.39
▸ HRH3 Q9Y5N1 3/20 0.39
▸ HRH2 P25021 2/20 0.39
▸ HRH1 P35367 2/20 0.39
▸ 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
SCHEMBL19991825 0.91 TLR8 (0.59) TLR8TLR7KCNH2HRH4HRH3
SCHEMBL19940713 0.91 TLR8 (0.59) TLR8TLR7KCNH2HRH4HRH3
SCHEMBL23025601 0.88 TLR8 (0.61) TLR8TLR7KCNH2HRH4HRH3
SCHEMBL18125192 0.81 TLR8 (0.61) TLR8TLR7NLRP3
SCHEMBL18923203 0.81 TLR8 (0.61) TLR8TLR7NLRP3
SCHEMBL19940969 0.80 TLR8 (0.60) TLR8TLR7NLRP3
SCHEMBL18109286 0.80 TLR8 (0.74) TLR8TLR7KCNH2NLRP3
SCHEMBL19940722 0.80 TLR8 (0.60) TLR8TLR7NLRP3
SCHEMBL18109289 0.80 TLR8 (0.74) TLR8TLR7KCNH2NLRP3
SCHEMBL18109542 0.80 TLR8 (0.75) TLR8TLR7KCNH2NLRP3

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
EP-3507288-B1 4,6-DIAMINO-PYRIDO[3,2-D]PYRIMIDINE DERIVATIES AS TOLL LIKE RECEPTOR MODULATORS GILEAD SCIENCES INC (US) 2020-08-26 — — EP disclosed
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