SCHEMBL14423950

SCHEMBL14423950

CCCN(C)c1nc2cnc3ccccc3c2n1CC(C)(C)O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 15/20 0.47
TLR8 Q9NR97 3/20 0.43
NUDT1 P36639 1/20 0.41
TRPV1 Q8NER1 1/20 0.35
PIK3CA P42336 1/20 0.35
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL842450 0.82 TLR7 (0.49) TLR7TLR8NUDT1PIK3CA
SCHEMBL1897263 0.80 TLR7 (0.58) TLR7TLR8NUDT1
SCHEMBL30306372 0.80 TLR7 (0.66) TLR7TLR8NUDT1
SCHEMBL3179251 0.80 TLR7 (0.49) TLR7TLR8NUDT1
SCHEMBL147627 0.80 TLR7 (0.66) TLR7TLR8NUDT1
SCHEMBL1895853 0.80 TLR7 (0.53) TLR7TLR8NUDT1PIK3CA
SCHEMBL1897834 0.78 TLR7 (0.66) TLR7TLR8NUDT1
SCHEMBL17181408 0.77 TLR7 (0.70) TLR7TLR8NUDT1
SCHEMBL6719547 0.77 TLR7 (0.51) TLR7TLR8NUDT1PIK3CA
SCHEMBL1490933 0.76 TLR7 (0.50) TLR7TLR8NUDT1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007109810-A2 METHODS FOR THE PREPARATION OF IMIDAZOLE-CONTAINING COMPOUNDS NOVARTIS AG (CH) 2007-09-27 WO disclosed