SCHEMBL22828541

SCHEMBL22828541

Cn1nc2c(N)nc3ccccc3c2c1Cc1ccc(CN)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 8/20 0.47
TLR7 Q9NYK1 9/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
ADORA2A P29274 6/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
HRH2 P25021 1/20 0.39
ADRA1D P25100 1/20 0.39
HTR2A P28223 1/20 0.39
ADRA1A P35348 1/20 0.39
NUDT1 P36639 1/20 0.39
HTR2B P41595 1/20 0.39
PDE4D Q08499 1/20 0.39
KCNH2 Q12809 1/20 0.39
ADORA3 P0DMS8 5/20 0.39
ADORA1 P30542 4/20 0.39

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
SCHEMBL26241332 0.90 CA12 (0.46) TLR8TLR7CA12CA9ADORA2A
Hydrochloric Acid SCHEMBL1234320 0.86 TLR7 (0.46) TLR8TLR7ADORA2ALMNAPOLB
SCHEMBL22790568 0.84 TLR8 (0.53) TLR8TLR7
SCHEMBL1233348 0.82 TLR7 (0.50) TLR8TLR7ADORA2ALMNAPOLB
SCHEMBL1233729 0.81 TLR7 (0.47) TLR8TLR7ADORA2AADORA3ADORA1
Hydrochloric Acid SCHEMBL1233596 0.81 TLR8 (0.44) TLR8TLR7ADORA2ALMNAPOLB
SCHEMBL1233649 0.79 TLR8 (0.50) TLR8TLR7
SCHEMBL1233451 0.79 TLR7 (0.51) TLR8TLR7ADORA2ALMNAPOLB
SCHEMBL1233266 0.79 TLR7 (0.44) TLR8TLR7ADORA2ALMNAPOLB
SCHEMBL1234353 0.78 TLR7 (0.55) TLR8TLR7

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-2020257235-A1 1-(4-(AMINOMETHYL)BENZYL)-2-BUTYL-2H-PYRAZOLO[3,4-C]QUINOLIN-4-AMINE DERIVATIVES AND RELATED COMPOUNDS AS TOLL-LIKE RECEPTOR (TLR) 7/8 AGONISTS, AS WELL AS ANTIBODY DRUG CONJUGATES THEREOF FOR USE IN CANCER THERAPY AND DIAGNOSIS SUTRO BIOPHARMA, INC. (US) 2020-12-24 WO disclosed