SCHEMBL1704232

SCHEMBL1704232

Cc1ccc(C#Cc2cnc3c(N)nc4cc(C(=O)O)ccc4c3c2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 11/20 0.40
CSNK2A2 P19784 6/20 0.39
CSNK2B P67870 5/20 0.39
CSNK2A1 P68400 3/20 0.38
MAP4K4 O95819 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
SCHEMBL4057114 0.96 TLR7 (0.42) TLR7CSNK2A2CSNK2BCSNK2A1MAP4K4
SCHEMBL1062650 0.91 CSNK2A1 (0.44) TLR7CSNK2A1
SCHEMBL1060846 0.90 TLR7 (0.43) TLR7
SCHEMBL1061504 0.85 ADORA2A (0.41) TLR7
SCHEMBL1060956 0.85 TLR7 (0.42) TLR7
SCHEMBL1704121 0.84 MAP4K4 (0.37) TLR7CSNK2A2CSNK2BCSNK2A1MAP4K4
SCHEMBL1008663 0.81 TLR7 (0.39) TLR7
SCHEMBL1008266 0.81 TLR7 (0.47) TLR7
SCHEMBL1675554 0.79 TLR7 (0.43) TLR7
SCHEMBL1008090 0.78 TLR7 (0.43) TLR7

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-2440245-A1 BENZONAPHTHYRIDINE-CONTAINING VACCINES Novartis AG (CH) 2012-04-18 EP disclosed
WO-2010144734-A1 BENZONAPHTHYRIDINE-CONTAINING VACCINES NOVARTIS AG (CH) 2010-12-16 WO disclosed