SCHEMBL4792564

SCHEMBL4792564

COCCc1nc2cnc3ccccc3c2n1CC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 10/20 0.52
ALDH1A1 P00352 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ABCC1 P33527 1/20 0.39
BRD4 O60885 1/20 0.39
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
TLR8 Q9NR97 1/20 0.38
KCNH2 Q12809 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36

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
SCHEMBL14466065 0.90 TLR7 (0.62) TLR7BRD4TLR8KCNH2
Hydrochloric Acid SCHEMBL4761666 0.89 TLR7 (0.61) TLR7BRD4TLR8KCNH2
SCHEMBL14465846 0.86 TLR7 (0.49) TLR7ALDH1A1KDM4EHSD17B10
SCHEMBL5160131 0.84 TLR7 (0.54) TLR7ALDH1A1NPSR1KDM4EHSD17B10
SCHEMBL14465833 0.83 TLR7 (0.52) TLR7ALDH1A1NPSR1KDM4EHSD17B10
SCHEMBL4761822 0.82 ALDH1A1 (0.46) TLR7ALDH1A1NPSR1KDM4EHSD17B10
SCHEMBL4763937 0.82 TLR7 (0.52) TLR7ALDH1A1NPSR1KDM4EHSD17B10
SCHEMBL6106031 0.79 SMN1; SMN2 (0.46) TLR7ALDH1A1NPSR1
SCHEMBL6724102 0.79 TLR7 (0.40) TLR7ALDH1A1NPSR1KDM4ETLR8
SCHEMBL4791173 0.79 BRD4 (0.59) TLR7BRD4TLR8L3MBTL1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968587-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZONAPHTHYRIDINES, AND IMIDAZOPYRIDINES, COMPOSITIONS, AND METHODS Coley Pharmaceutical, Inc. (US) 2008-09-17 EP disclosed
WO-2007075468-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZONAPHTHYRIDINES, AND IMIDAZOPYRIDINES, COMPOSITIONS, AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-07-05 WO disclosed
WO-2007075468-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZONAPHTHYRIDINES, AND IMIDAZOPYRIDINES, COMPOSITIONS, AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-07-05 WO disclosed