SCHEMBL4792190

SCHEMBL4792190

CCOC(=O)CCc1ccc2c(c1)ncc1nc(CC)n(CC3CCOCC3)c12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.44
CNR2 P34972 6/20 0.41
CNR1 P21554 1/20 0.41
TLR7 Q9NYK1 5/20 0.39
PIK3CA P42336 3/20 0.39
TLR8 Q9NR97 2/20 0.39
PIK3CD O00329 2/20 0.39
MTOR P42345 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
P2RY12 Q9H244 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
SCHEMBL14466855 0.90 BRD4 (0.43) BRD4CNR2CNR1TLR7PIK3CA
SCHEMBL14465892 0.89 CNR2 (0.42) BRD4CNR2CNR1TLR7PIK3CA
SCHEMBL4524640 0.85 TLR7 (0.56) TLR7TLR8
SCHEMBL4543189 0.80 BRD4 (0.49) BRD4CNR2CNR1TLR7PIK3CA
SCHEMBL4763020 0.79 BRD4 (0.44) BRD4CNR2CNR1TLR7PIK3CA
SCHEMBL4763017 0.79 BRD4 (0.44) BRD4CNR2CNR1TLR7PIK3CA
SCHEMBL4791340 0.78 BRD4 (0.47) BRD4CNR2CNR1TLR7PIK3CA
SCHEMBL4543905 0.78 BRD4 (0.43) BRD4CNR2CNR1TLR7PIK3CA
SCHEMBL1486838 0.76 BRD4 (0.46) BRD4CNR2CNR1TLR7PIK3CA
SCHEMBL14466847 0.76 TLR7 (0.54) BRD4CNR2TLR7PIK3CATLR8

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-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