SCHEMBL4724437

SCHEMBL4724437

CCOCc1nc2c(CC3CCOCC3)nc3ccc(Br)cc3c2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.34
SLC2A1 P11166 1/20 0.34
SLC2A2 P11168 1/20 0.34
SLC2A3 P11169 1/20 0.34
PIM1 P11309 2/20 0.33
CSNK2B P67870 2/20 0.33
CSNK2A2 P19784 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PARP14 Q460N5 2/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
CDC7 O00311 1/20 0.30
CSNK2A1 P68400 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL4724105 0.86 TLR7 (0.44) TLR7ALDH1A1SMN1; SMN2PARP14MAPT
SCHEMBL4767581 0.85 SLC2A1 (0.35) TLR7SLC2A1SLC2A2SLC2A3PIM1
SCHEMBL5504922 0.79 CNR1 (0.34) SLC2A1SLC2A2SLC2A3PIM1CSNK2B
SCHEMBL4766269 0.77 PARP14 (0.33) TLR7SLC2A1SLC2A2SLC2A3PIM1
SCHEMBL5507582 0.77 PTGES (0.32) PIM1CSNK2BCSNK2A2PIM3PIM2
SCHEMBL4764975 0.73 PTGES (0.33) SLC2A1SLC2A2SLC2A3CSNK2BCSNK2A2
SCHEMBL5271211 0.70 IDO1 (0.37) TLR7ALDH1A1PARP14MAPT
SCHEMBL4766121 0.70 KMT2A (0.42) ALDH1A1PARP14MAPT
SCHEMBL4063897 0.69 ALOX5 (0.34) ALDH1A1MAPTATM
SCHEMBL4767545 0.68 PARP14 (0.35) TLR7ALDH1A1PARP14

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