SCHEMBL4620764

SCHEMBL4620764

CC(C)Cn1c(N(C)C)nc2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccc3c21.CNc1nc2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccc3c2n1CC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 9/20 0.34
LMNA P02545 3/20 0.34
POLB P06746 1/20 0.34
HRH2 P25021 1/20 0.34
ADRA1D P25100 1/20 0.34
HTR2A P28223 1/20 0.34
ADORA2A P29274 1/20 0.34
ADRA1A P35348 1/20 0.34
NUDT1 P36639 1/20 0.34
HTR2B P41595 1/20 0.34
PDE4D Q08499 1/20 0.34
KCNH2 Q12809 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
CASP1 P29466 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TLR8 Q9NR97 1/20 0.34
HTT P42858 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PIM1 P11309 1/20 0.33

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
SCHEMBL31092876 0.93 TLR7 (0.38) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL142891 0.93 TLR7 (0.38) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL30448090 0.92 TLR7 (0.39) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL143565 0.92 TLR7 (0.39) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL12245200 0.83 APP (0.42) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL3274002 0.83 TLR7 (0.50) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL146701 0.82 TLR7 (0.44) TLR7POLBTLR8
SCHEMBL14866402 0.82 TLR7 (0.37) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL12245236 0.80 TLR7 (0.36) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL29988385 0.80 TLR7 (0.39) TLR7PDE4DPIM1TSHRCYP3A4

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-1945253-A2 ADMINSTRATION ROUTES FOR PRIMING/BOOSTING WITH INFLUENZA VACCINES Novartis Vaccines and Diagnostics S.r.l. (IT) 2008-07-23 EP disclosed
WO-2007052057-A2 ADMINSTRATION ROUTES FOR PRIMING/BOOSTING WITH INFLUENZA VACCINES NOVARTIS VACCINES AND DIAGNOSTICS SRL (IT) 2007-05-10 WO disclosed