SCHEMBL4670100

SCHEMBL4670100

C[C@H](c1ccccc1)n1cnc2c(N)nc3ccccc3c21

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 14/20 0.61
ADORA2A P29274 2/20 0.61
LMNA P02545 1/20 0.61
POLB P06746 1/20 0.61
HRH2 P25021 1/20 0.61
ADRA1D P25100 1/20 0.61
HTR2A P28223 1/20 0.61
ADRA1A P35348 1/20 0.61
NUDT1 P36639 1/20 0.61
HTR2B P41595 1/20 0.61
PDE4D Q08499 1/20 0.61
KCNH2 Q12809 1/20 0.61
MEN1 O00255 1/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TLR8 Q9NR97 7/20 0.46

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
SCHEMBL10588025 1.00 TLR7 (0.61) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL13770893 0.87 TLR7 (0.65) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL22749239 0.86 TLR7 (0.64) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL22749238 0.86 TLR7 (0.64) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL29508403 0.86 TLR7 (0.64) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL22761517 0.86 TLR7 (0.64) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL7229665 0.86 TLR7 (0.48) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL2059427 0.86 TLR7 (0.48) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL10589023 0.84 MEN1 (0.51) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL22761521 0.83 TLR7 (0.60) TLR7ADORA2ALMNAPOLBHRH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1719511-B1 N-[4-(4-amino-2-ethyl-1H-imidazo[4,5-c]quinolin-1-yl)butyl]methanesulfonamide, a pharmaceutical composition comprising the same and use thereof 3M INNOVATIVE PROPERTIES CO (US) 2008-12-10 EP disclosed
EP-1719511-A2 N-[4-(4-amino-2-ethyl-1H-imidazo[4,5-c]quinolin-1-yl)butyl]methanesulfonamide, a pharmaceutical composition comprising the same and use thereof 3M Innovative Properties Company (US) 2006-11-08 EP disclosed