SCHEMBL22448336

SCHEMBL22448336

C=Cc1nc(NC(C)CCC)c2sc(C)cc2n1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ CRHR1 P34998 1/20 0.33
▸ ADORA3 P0DMS8 8/20 0.32
▸ ADORA2A P29274 8/20 0.32
▸ ADORA2B P29275 6/20 0.32
▸ CCR4 P51679 1/20 0.32
▸ HCAR3 P49019 1/20 0.32
▸ ADORA1 P30542 3/20 0.32
▸ LPAR1 Q92633 1/20 0.31
▸ LPAR2 Q9HBW0 1/20 0.31

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
SCHEMBL16441151 0.83 CRHR1 (0.43) ELANETLR8TLR7CRHR1ADORA3
SCHEMBL17829996 0.81 TLR8 (0.52) ELANETLR8TLR7ADORA1
SCHEMBL22448348 0.80 KCNH2 (0.36) ELANETLR8TLR7
SCHEMBL23472401 0.63 TRPM8 (0.35) TLR8TLR7
SCHEMBL22448323 0.62 CYP3A4 (0.41) TLR8TLR7CRHR1
SCHEMBL22448325 0.59 TLR8 (0.42) TLR8TLR7
SCHEMBL17829984 0.59 TLR8 (0.56) TLR8TLR7ADORA2AADORA1
SCHEMBL1937502 0.56 TLR8 (0.41) ELANETLR8TLR7CRHR1HCAR3
SCHEMBL26536283 0.55 NPC1 (0.38) ELANETLR8TLR7HCAR3
SCHEMBL23472519 0.55 TLR8 (0.40) ELANETLR8TLR7CRHR1HCAR3

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-3404031-B1 THIENO[3,2-D]PYRIMIDINES DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2020-09-23 — — EP disclosed
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