SCHEMBL3274293

SCHEMBL3274293

CC(=O)OCCN(C)c1nc2c(N)nc3ccccc3c2n1CC(C)C.CC(C)Cn1c(=O)[nH]c2c(N)nc3ccccc3c21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 15/20 0.42
TLR8 Q9NR97 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
HRH2 P25021 1/20 0.39
ADRA1D P25100 1/20 0.39
HTR2A P28223 1/20 0.39
ADORA2A P29274 1/20 0.39
ADRA1A P35348 1/20 0.39
NUDT1 P36639 1/20 0.39
HTR2B P41595 1/20 0.39
PDE4D Q08499 1/20 0.39
KCNH2 Q12809 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL31072343 0.92 TLR7 (0.48) TLR7TLR8LMNAPOLBHRH2
SCHEMBL145828 0.92 TLR7 (0.48) TLR7TLR8LMNAPOLBHRH2
SCHEMBL31658238 0.86 TLR7 (0.46) TLR7TLR8LMNAPOLBHRH2
SCHEMBL12245181 0.83 TLR7 (0.48) TLR7TLR8LMNAPOLBHRH2
SCHEMBL14141740 0.82 TLR7 (0.37) TLR7TLR8L3MBTL1
SCHEMBL31092874 0.80 TLR7 (0.53) TLR7TLR8L3MBTL1LMNAPOLB
SCHEMBL142572 0.80 TLR7 (0.53) TLR7TLR8L3MBTL1LMNAPOLB
SCHEMBL20836817 0.79 TLR7 (0.50) TLR7TLR8LMNAPOLBHRH2
SCHEMBL3274299 0.78 TLR7 (0.38) TLR7TLR8LMNAPOLBHRH2
SCHEMBL147570 0.78 TLR7 (0.54) TLR7TLR8LMNAPOLBHRH2

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-2192918-A1 HIV ENV PROTEINS WITH MODIFICATIONS IN THE V3 LOOP Novartis Ag (CH) 2010-06-09 EP disclosed
WO-2009029569-A1 HIV ENV PROTEINS WITH MODIFICATIONS IN THE V3 LOOP NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2009-03-05 WO disclosed