SCHEMBL21735565

SCHEMBL21735565

NCCc1nc2c(N)nc3cc(-c4cc[nH]n4)ccc3c2n1C1CCC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 12/20 0.35
TLR8 Q9NR97 11/20 0.35
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NLRP3 Q96P20 1/20 0.33

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
SCHEMBL21733010 0.91 JAK2 (0.42) TLR7TLR8JAK2JAK1NLRP3
SCHEMBL21733007 0.90 TLR7 (0.37) TLR7TLR8JAK2JAK1NLRP3
SCHEMBL21733006 0.85 TLR7 (0.38) TLR7TLR8
SCHEMBL21732874 0.85 TLR7 (0.33) TLR7TLR8JAK2JAK1NLRP3
SCHEMBL21732872 0.84 NLRP3 (0.35) TLR7TLR8JAK2JAK1NLRP3
SCHEMBL21732875 0.84 TLR7 (0.33) TLR7TLR8JAK2JAK1NLRP3
SCHEMBL21732900 0.84 GRM2 (0.34) TLR7TLR8JAK2JAK1NLRP3
SCHEMBL21732904 0.83 TLR7 (0.37) TLR7TLR8JAK2JAK1NLRP3
SCHEMBL23916902 0.82 JAK1 (0.40) TLR7TLR8JAK2JAK1NLRP3
SCHEMBL21724254 0.81 NLRP3 (0.49) TLR7TLR8JAK2NOS3NOS1

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-2020037092-A1 IMIDAZO[4,5-C]QUINOLINE DERIVED NLRP3-MODULATORS INNATE TUMOR IMMUNITY, INC. (US) 2020-02-20 WO disclosed