SCHEMBL5274121

SCHEMBL5274121

[CH2]c1nc2c(N)nc3cccc(CCCCNS(C)(=O)=O)c3c2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.41
NQO2 P16083 1/20 0.36
POLB P06746 1/20 0.33
DHFR P00374 3/20 0.32
TLR8 Q9NR97 8/20 0.32
CSNK1A1 P48729 1/20 0.32
CSNK1D P48730 1/20 0.32
PRKCD Q05655 1/20 0.32
PAK1 Q13153 1/20 0.32
CAMK2B Q13554 1/20 0.32
CAMK2G Q13555 1/20 0.32
CAMK2D Q13557 1/20 0.32
TAOK1 Q7L7X3 1/20 0.32
NPY5R Q15761 3/20 0.30
AGTR1 P30556 1/20 0.30
AGTR2 P50052 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL5275376 0.80 TLR7 (0.35) TLR7TLR8
SCHEMBL5503890 0.73 HDAC1 (0.41) MEN1KMT2A
SCHEMBL6272241 0.72 TLR8 (0.48) DHFRTLR8
SCHEMBL20624057 0.71 TLR8 (0.40) TLR7TLR8
SCHEMBL18587114 0.70 TLR8 (0.46) TLR7DHFRTLR8CSNK1A1CSNK1D
SCHEMBL23421518 0.69 TLR8 (0.37) TLR7DHFRTLR8CSNK1A1CSNK1D
SCHEMBL4520810 0.69 TLR7 (0.34) TLR7
SCHEMBL21976788 0.69 TLR8 (0.39) TLR7TLR8CSNK1A1CSNK1DPRKCD
SCHEMBL5079686 0.69 DHFR (0.35) DHFRTLR8CSNK1A1CSNK1DPRKCD
SCHEMBL1486513 0.68 TLR7 (0.35) TLR7POLBMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1851224-A2 HYDROXYALKYL SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2007-11-07 EP disclosed
EP-1850849-A2 METHOD OF PREFERENTIALLY INDUCING THE BIOSYNTHESIS OF INTERFERON Coley Pharmaceutical Group, Inc. (US) 2007-11-07 EP disclosed
WO-2006098852-A2 HYDROXYALKYL SUBSTITUTED IMIDAZOQUINOLINES COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-09-21 WO disclosed
WO-2006091647-A2 METHOD OF PREFERENTIALLY INDUCING THE BIOSYNTHESIS OF INTERFERON COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-31 WO disclosed