SCHEMBL16705242

SCHEMBL16705242

Cc1nc2c(N)nc3cc(O)ccc3c2n1CC(C)C

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.69
TLR8 Q9NR97 7/20 0.46
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
HRH2 P25021 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR2A P28223 1/20 0.42
ADORA2A P29274 1/20 0.42
ADRA1A P35348 1/20 0.42
NUDT1 P36639 1/20 0.42
HTR2B P41595 1/20 0.42
PDE4D Q08499 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL1486460 0.84 TLR7 (0.88) TLR7TLR8
SCHEMBL8572870 0.82 TLR7 (0.74) TLR7TLR8LMNAPOLBHRH2
SCHEMBL1486429 0.82 TLR7 (0.79) TLR7TLR8NUDT1
SCHEMBL22559092 0.82 TLR7 (1.00) TLR7TLR8
SCHEMBL1486540 0.80 TLR7 (0.55) TLR7TLR8LMNAPOLBHRH2
SCHEMBL4243750 0.80 TLR7 (0.55) TLR7TLR8LMNAPOLBHRH2
SCHEMBL3353426 0.79 TLR7 (0.52) TLR7TLR8LMNAPOLBHRH2
SCHEMBL5617708 0.79 TLR7 (0.56) TLR7TLR8LMNAPOLBHRH2
SCHEMBL15911859 0.78 TLR7 (0.70) TLR7TLR8LMNAPOLBHRH2
SCHEMBL1486565 0.78 TLR7 (0.46) TLR7HTR2AHTR2B

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-1673087-B1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2015-05-13 EP disclosed