SCHEMBL4789693

SCHEMBL4789693

c1ccc2c(c1)ncc1nc(CC3CC3)n(CC3CCOCC3)c12

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 11/20 0.49
PIK3CD O00329 2/20 0.44
PIK3CA P42336 2/20 0.44
MTOR P42345 2/20 0.44
BRD4 O60885 4/20 0.44
TLR8 Q9NR97 2/20 0.43
JAK1 P23458 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
RIPK3 Q9Y572 1/20 0.38
CNR2 P34972 1/20 0.37

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
SCHEMBL2059234 0.89 TLR7 (0.49) TLR7PIK3CDPIK3CAMTORBRD4
SCHEMBL14466847 0.89 TLR7 (0.54) TLR7PIK3CDPIK3CAMTORBRD4
SCHEMBL4762704 0.89 TLR7 (0.49) TLR7PIK3CDPIK3CAMTORBRD4
SCHEMBL14465845 0.87 TLR7 (0.60) TLR7PIK3CDPIK3CAMTORBRD4
SCHEMBL14465881 0.87 TLR7 (0.50) TLR7PIK3CDPIK3CAMTORBRD4
SCHEMBL4791173 0.86 BRD4 (0.59) TLR7PIK3CDPIK3CAMTORBRD4
SCHEMBL4792602 0.85 TLR7 (0.69) TLR7PIK3CDPIK3CAMTORBRD4
SCHEMBL14466065 0.84 TLR7 (0.62) TLR7PIK3CDPIK3CAMTORBRD4
SCHEMBL4763092 0.84 TLR7 (0.62) TLR7PIK3CDPIK3CAMTORBRD4
SCHEMBL4791842 0.84 PIK3CD (0.60) TLR7PIK3CDPIK3CAMTORBRD4

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