SCHEMBL5748431

SCHEMBL5748431

[CH2]CCCn1cnc2c(N)nc3ccccc3c21

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 17/20 0.63
ADORA2A P29274 2/20 0.63
LMNA P02545 1/20 0.63
POLB P06746 1/20 0.63
HRH2 P25021 1/20 0.63
ADRA1D P25100 1/20 0.63
HTR2A P28223 1/20 0.63
ADRA1A P35348 1/20 0.63
NUDT1 P36639 1/20 0.63
HTR2B P41595 1/20 0.63
PDE4D Q08499 1/20 0.63
KCNH2 Q12809 1/20 0.63
TLR8 Q9NR97 6/20 0.43
ADORA3 P0DMS8 1/20 0.41
ADORA1 P30542 1/20 0.41

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
SCHEMBL8128122 0.88 TLR7 (0.64) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL3185729 0.87 TLR7 (0.67) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL5355612 0.87 TLR7 (0.63) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL3821194 0.87 TLR7 (0.63) TLR7ADORA2ALMNAPOLBHRH2
Hydrochloric Acid SCHEMBL3186834 0.86 TLR7 (0.65) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL8136496 0.86 TLR7 (0.62) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL3868909 0.86 TLR7 (0.62) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL22803635 0.86 TLR7 (0.65) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL1335078 0.86 TLR7 (0.62) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL8136290 0.86 TLR7 (0.62) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187613-B9 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-10-25 EP claimed
EP-1187613-B1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-08-09 EP claimed
EP-1187613-A4 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2002-07-24 EP claimed
EP-1187613-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2002-03-20 EP claimed
WO-2000076505-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-12-21 WO claimed