SCHEMBL4764975

SCHEMBL4764975

Nc1nc2c(CC3CCOCC3)nc3cc(Br)ccc3c2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.33
PNP P00491 1/20 0.33
ACHE P22303 1/20 0.32
SLC2A1 P11166 1/20 0.32
SLC2A2 P11168 1/20 0.32
SLC2A3 P11169 1/20 0.32
TYMS P04818 1/20 0.32
MPO P05164 1/20 0.32
XDH P47989 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
MTOR P42345 1/20 0.31
MAPK1 P28482 1/20 0.31
PARP14 Q460N5 1/20 0.30
HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL5507582 0.85 PTGES (0.32) PTGESCSNK2A2CSNK2BCNR1CNR2
SCHEMBL4766269 0.81 PARP14 (0.33) PTGESSLC2A1SLC2A2SLC2A3CSNK2A2
SCHEMBL5504922 0.79 CNR1 (0.34) SLC2A1SLC2A2SLC2A3CSNK2A2CSNK2B
SCHEMBL4724437 0.73 TLR7 (0.34) SLC2A1SLC2A2SLC2A3CSNK2A2CSNK2B
SCHEMBL4767581 0.73 SLC2A1 (0.35) SLC2A1SLC2A2SLC2A3CSNK2A2CSNK2B
SCHEMBL5271211 0.69 IDO1 (0.37) PARP14
SCHEMBL4766121 0.68 KMT2A (0.42) PNPPARP14
SCHEMBL4767545 0.67 PARP14 (0.35) PARP14
SCHEMBL17824919 0.66 PRMT5 (0.50) CNR1CNR2MAPK1
SCHEMBL24469152 0.65 CNR2 (0.38) SLC2A1SLC2A2SLC2A3CNR1CNR2

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