SCHEMBL4792257

SCHEMBL4792257

CCc1nc2cnc3cccnc3c2n1CC1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 8/20 0.46
BRD4 O60885 4/20 0.41
TLR8 Q9NR97 1/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
CNR2 P34972 5/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
RIPK3 Q9Y572 1/20 0.37
BAZ2A Q9UIF9 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
SCHEMBL14466884 0.92 TLR7 (0.51) TLR7BRD4TLR8PIK3CDPIK3CA
SCHEMBL4793842 0.89 TLR7 (0.41) TLR7BRD4TLR8PIK3CDPIK3CA
SCHEMBL14465820 0.89 TLR7 (0.53) TLR7BRD4TLR8PIK3CDPIK3CA
SCHEMBL4790754 0.87 TLR7 (0.53) TLR7BRD4TLR8PIK3CDPIK3CA
SCHEMBL14466847 0.84 TLR7 (0.54) TLR7BRD4TLR8PIK3CDPIK3CA
SCHEMBL1140942 0.79 PIK3CA (0.35) BRD4PIK3CDPIK3CAMTORCNR2
SCHEMBL4791340 0.77 BRD4 (0.47) TLR7BRD4TLR8PIK3CDPIK3CA
SCHEMBL4543189 0.77 BRD4 (0.49) TLR7BRD4TLR8PIK3CDPIK3CA
SCHEMBL14465845 0.76 TLR7 (0.60) TLR7BRD4TLR8PIK3CDPIK3CA
SCHEMBL1141089 0.76 PDE10A (0.34) BRD4PIK3CDPIK3CACNR2

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