SCHEMBL7837867

SCHEMBL7837867

CC(C)(O)Cn1cnc2c(N)nc3cccc(Cc4ccccc4)c3c21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 12/20 0.67
ADORA2A P29274 4/20 0.44
NUDT1 P36639 2/20 0.44
PDE4D Q08499 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
HRH2 P25021 1/20 0.44
ADRA1D P25100 1/20 0.44
HTR2A P28223 1/20 0.44
ADRA1A P35348 1/20 0.44
HTR2B P41595 1/20 0.44
KCNH2 Q12809 1/20 0.44
TLR8 Q9NR97 3/20 0.41
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
TMIGD3 P0DMS9 3/20 0.36
ADORA1 P30542 3/20 0.36
ADORA2B P29275 2/20 0.36
DHFR P00374 1/20 0.36

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
SCHEMBL9273378 0.88 TLR7 (0.62) TLR7ADORA2ANUDT1PDE4DLMNA
SCHEMBL29508382 0.81 TLR7 (1.00) TLR7ADORA2ANUDT1PDE4DLMNA
SCHEMBL189202 0.81 TLR7 (1.00) TLR7ADORA2ANUDT1PDE4DLMNA
SCHEMBL7834768 0.76 TLR7 (0.71) TLR7NUDT1TLR8
SCHEMBL8522286 0.75 TLR7 (0.87) TLR7ADORA2ANUDT1PDE4DLMNA
SCHEMBL1486435 0.73 TLR7 (0.70) TLR7ADORA2ANUDT1PDE4DLMNA
SCHEMBL27661125 0.71 TLR7 (0.63) TLR7ADORA2ANUDT1PDE4DLMNA
SCHEMBL4531160 0.70 TLR7 (0.71) TLR7ADORA2ANUDT1PDE4DLMNA
SCHEMBL6710596 0.70 TLR7 (0.79) TLR7ADORA2ANUDT1PDE4DLMNA
SCHEMBL27661087 0.70 TLR7 (0.65) TLR7ADORA2ANUDT1PDE4DLMNA

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
EP-0681570-B1 PROCESS FOR PREPARING QUINOLINE AMINES MINNESOTA MINING & MFG (US) 2001-03-14 EP disclosed