SCHEMBL4763449

SCHEMBL4763449

CCOCc1nc2cnc3ccc(Br)cc3c2n1CC1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.50
TLR7 Q9NYK1 2/20 0.47
PIK3CD O00329 2/20 0.47
PIK3CA P42336 2/20 0.47
MTOR P42345 2/20 0.47
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CNR2 P34972 7/20 0.38
CNR1 P21554 2/20 0.37
RXFP1 Q9HBX9 2/20 0.37
LRRK2 Q5S007 2/20 0.36
IRAK4 Q9NWZ3 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
SCHEMBL3863581 0.93 BRD4 (0.50) BRD4TLR7PIK3CDPIK3CAMTOR
SCHEMBL4763092 0.86 TLR7 (0.62) BRD4TLR7PIK3CDPIK3CAMTOR
SCHEMBL4792376 0.85 BRD4 (0.50) BRD4TLR7PIK3CDPIK3CAMTOR
SCHEMBL4791772 0.85 TLR7 (0.47) BRD4TLR7PIK3CDPIK3CAMTOR
SCHEMBL1486674 0.84 TLR7 (0.49) BRD4TLR7PIK3CDPIK3CAMTOR
SCHEMBL14465891 0.81 BRD4 (0.44) BRD4TLR7PIK3CDPIK3CAMTOR
SCHEMBL4791340 0.81 BRD4 (0.47) BRD4TLR7PIK3CDPIK3CAMTOR
SCHEMBL4893805 0.81 BRD4 (0.48) BRD4TLR7PIK3CDPIK3CAMTOR
SCHEMBL4793608 0.80 TLR7 (0.54) BRD4TLR7PIK3CDPIK3CAMTOR
SCHEMBL14466846 0.79 BRD4 (0.47) BRD4TLR7PIK3CDPIK3CAMTOR

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