SCHEMBL4763017

SCHEMBL4763017

CCc1nc2cnc3cc(/C=C/C(=O)O)ccc3c2n1CC1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.44
HDAC1 Q13547 4/20 0.39
HDAC11 Q96DB2 4/20 0.39
HDAC8 Q9BY41 4/20 0.39
HDAC6 Q9UBN7 4/20 0.39
HDAC2 Q92769 3/20 0.39
APP P05067 1/20 0.39
TLR7 Q9NYK1 3/20 0.39
PIK3CD O00329 2/20 0.39
PIK3CA P42336 2/20 0.39
MTOR P42345 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CNR2 P34972 4/20 0.36
CNR1 P21554 1/20 0.36
RAB9A P51151 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
TLR8 Q9NR97 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL4763020 1.00 BRD4 (0.44) BRD4HDAC1HDAC11HDAC8HDAC6
SCHEMBL4519471 0.84 TLR7 (0.56) HDAC1HDAC11HDAC8HDAC6HDAC2
SCHEMBL4519477 0.84 TLR7 (0.56) HDAC1HDAC11HDAC8HDAC6HDAC2
SCHEMBL4543189 0.82 BRD4 (0.49) BRD4TLR7PIK3CDPIK3CAMTOR
SCHEMBL4791340 0.80 BRD4 (0.47) BRD4TLR7PIK3CDPIK3CAMTOR
SCHEMBL4792190 0.79 BRD4 (0.44) BRD4TLR7PIK3CDPIK3CAMTOR
SCHEMBL4543905 0.78 BRD4 (0.43) BRD4TLR7PIK3CDPIK3CAMTOR
SCHEMBL14466847 0.78 TLR7 (0.54) BRD4TLR7PIK3CDPIK3CAMTOR
SCHEMBL14465892 0.78 CNR2 (0.42) BRD4TLR7PIK3CDPIK3CAMTOR
SCHEMBL1486838 0.76 BRD4 (0.46) 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 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