SCHEMBL4015090

SCHEMBL4015090

CC(C)Cn1c(N(C)C)nc2c(N)nc3ccccc3c21.CCCN(C)c1nc2c(N)nc3ccccc3c2n1CC(C)C.CCN(C)c1nc2c(N)nc3ccccc3c2n1CC(C)C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.50
TLR8 Q9NR97 3/20 0.50
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
HRH2 P25021 1/20 0.49
ADRA1D P25100 1/20 0.49
HTR2A P28223 1/20 0.49
ADORA2A P29274 1/20 0.49
ADRA1A P35348 1/20 0.49
NUDT1 P36639 1/20 0.49
HTR2B P41595 1/20 0.49
PDE4D Q08499 1/20 0.49
KCNH2 Q12809 1/20 0.49

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
SCHEMBL26620224 0.97 TLR7 (0.53) TLR7TLR8LMNAPOLBHRH2
SCHEMBL31379717 0.94 TLR7 (0.53) TLR7TLR8LMNAPOLBHRH2
SCHEMBL144931 0.94 TLR7 (0.53) TLR7TLR8LMNAPOLBHRH2
SCHEMBL5139195 0.93 TLR7 (0.44) TLR7TLR8LMNAPOLBHRH2
SCHEMBL148087 0.92 TLR7 (0.57) TLR7TLR8LMNAPOLBHRH2
SCHEMBL4621585 0.89 TLR7 (0.41) TLR7TLR8LMNAPOLBHRH2
SCHEMBL144157 0.89 TLR7 (0.58) TLR7TLR8LMNAPOLBHRH2
SCHEMBL31092872 0.88 TLR7 (0.51) TLR7TLR8LMNAPOLBHRH2
SCHEMBL147063 0.88 TLR7 (0.51) TLR7TLR8LMNAPOLBHRH2
SCHEMBL4555124 0.88 TLR7 (0.48) 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-2043683-A2 FROZEN STOCKPILING OF INFLUENZA VACCINES Novartis AG (CH) 2009-04-08 EP disclosed
WO-2008017956-A2 FROZEN STOCKPILING OF INFLUENZA VACCINES NOVARTIS AG (CH) 2008-02-14 WO disclosed