SCHEMBL4790754

SCHEMBL4790754

COCCc1nc2cnc3cccnc3c2n1CC1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 8/20 0.53
BRD4 O60885 5/20 0.44
TLR8 Q9NR97 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CNR2 P34972 4/20 0.37
PIK3CA P42336 2/20 0.37
PIK3CD O00329 1/20 0.37
MTOR P42345 1/20 0.37
CNR1 P21554 3/20 0.37
BAZ2A Q9UIF9 1/20 0.35
RIPK3 Q9Y572 1/20 0.35

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 0.89 TLR7 (0.51) TLR7BRD4TLR8CYP3A4CYP2C9
SCHEMBL4792257 0.87 TLR7 (0.46) TLR7BRD4TLR8CYP3A4CYP2C9
SCHEMBL14466065 0.86 TLR7 (0.62) TLR7BRD4TLR8CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL4761666 0.85 TLR7 (0.61) TLR7BRD4TLR8CYP3A4CYP2C9
SCHEMBL4793842 0.85 TLR7 (0.41) TLR7BRD4TLR8CYP3A4CYP2C9
SCHEMBL4792232 0.84 TLR7 (0.47) TLR7BRD4TLR8CYP3A4CYP2C9
SCHEMBL14465820 0.84 TLR7 (0.53) TLR7BRD4TLR8CYP3A4CYP2C9
SCHEMBL1140896 0.81 TLR7 (0.36) TLR7CNR2PIK3CAPIK3CDCNR1
SCHEMBL14466850 0.80 TLR7 (0.47) TLR7BRD4CYP3A4CYP2C9CNR2
SCHEMBL4790722 0.79 BRD4 (0.52) TLR7BRD4TLR8CYP3A4CYP2C9

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