SCHEMBL5160131

SCHEMBL5160131

CCCc1nc2cnc3ccccc3c2n1CC1CCC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 12/20 0.54
TLR8 Q9NR97 2/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CNR2 P34972 1/20 0.42
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BRD4 O60885 1/20 0.38

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
SCHEMBL14465845 0.90 TLR7 (0.60) TLR7TLR8CNR2BRD4
SCHEMBL4792564 0.84 TLR7 (0.52) TLR7TLR8KDM4EALDH1A1NPSR1
SCHEMBL4792602 0.84 TLR7 (0.69) TLR7TLR8BRD4
SCHEMBL4761822 0.83 ALDH1A1 (0.46) TLR7KDM4EALDH1A1NPSR1HSD17B10
SCHEMBL4763937 0.83 TLR7 (0.52) TLR7TLR8KDM4EALDH1A1NPSR1
SCHEMBL5160125 0.82 TLR7 (0.46) TLR7LMNAMAPTHPGDSMN1; SMN2
SCHEMBL14465833 0.82 TLR7 (0.52) TLR7TLR8KDM4EALDH1A1NPSR1
SCHEMBL14466847 0.81 TLR7 (0.54) TLR7TLR8CNR2LMNABRD4
SCHEMBL5159479 0.80 TLR7 (0.82) TLR7TLR8
SCHEMBL14466065 0.78 TLR7 (0.62) TLR7TLR8CNR2BRD4

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-1765348-A2 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M Innovative Properties Company (US) 2007-03-28 EP disclosed
WO-2006028545-A2 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 WO disclosed