SCHEMBL842450

SCHEMBL842450

CN(C(=O)O)c1nc2cnc3ccccc3c2n1CC(C)(C)O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 14/20 0.49
TLR8 Q9NR97 2/20 0.41
NUDT1 P36639 1/20 0.41
PIK3CA P42336 1/20 0.39
EGFR P00533 1/20 0.36
DUSP10 Q9Y6W6 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL5808831 0.84 ALDH1A1 (0.42) TLR7TLR8NUDT1KDM4E
SCHEMBL14423950 0.82 TLR7 (0.47) TLR7TLR8NUDT1PIK3CA
SCHEMBL842116 0.81 TLR7 (0.62) TLR7TLR8NUDT1
SCHEMBL4057038 0.80 TLR7 (0.52) TLR7TLR8NUDT1EGFR
SCHEMBL843176 0.78 TLR7 (0.46) TLR7TLR8NUDT1PIK3CAKDM4E
SCHEMBL6719547 0.77 TLR7 (0.51) TLR7TLR8NUDT1PIK3CAKDM4E
SCHEMBL1895853 0.77 TLR7 (0.53) TLR7TLR8NUDT1PIK3CA
SCHEMBL1490933 0.76 TLR7 (0.50) TLR7TLR8NUDT1PIK3CA
SCHEMBL6726559 0.76 TLR7 (0.51) TLR7TLR8NUDT1
SCHEMBL1897263 0.75 TLR7 (0.58) TLR7TLR8NUDT1

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
US-8143270-B2 2-amino 1H-in-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 US disclosed