SCHEMBL4790722

SCHEMBL4790722

COCCc1nc2cnc3cc(O)ccc3c2n1CC1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.52
TLR7 Q9NYK1 7/20 0.49
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
PIK3CA P42336 3/20 0.41
MTOR P42345 3/20 0.41
PIK3CD O00329 2/20 0.41
CNR2 P34972 4/20 0.38
TLR8 Q9NR97 1/20 0.36
CNR1 P21554 3/20 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
SCHEMBL4790618 0.89 BRD4 (0.50) BRD4TLR7CYP3A4CYP2C9PIK3CA
SCHEMBL4543189 0.87 BRD4 (0.49) BRD4TLR7CYP3A4CYP2C9PIK3CA
SCHEMBL14466065 0.86 TLR7 (0.62) BRD4TLR7CYP3A4CYP2C9PIK3CA
Hydrochloric Acid SCHEMBL4761666 0.85 TLR7 (0.61) BRD4TLR7CYP3A4CYP2C9PIK3CA
SCHEMBL4791720 0.85 TLR7 (0.51) BRD4TLR7CYP3A4CYP2C9PIK3CA
SCHEMBL14465866 0.85 MTOR (0.50) BRD4TLR7CYP3A4CYP2C9PIK3CA
SCHEMBL14466850 0.83 TLR7 (0.47) BRD4TLR7CYP3A4CYP2C9PIK3CA
SCHEMBL4762754 0.83 BRD4 (0.46) BRD4TLR7CYP3A4CYP2C9PIK3CA
SCHEMBL14465830 0.83 BRD4 (0.44) BRD4TLR7CYP3A4CYP2C9PIK3CA
SCHEMBL4792037 0.83 BRD4 (0.44) BRD4TLR7CYP3A4CYP2C9PIK3CA

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