SCHEMBL4979244

SCHEMBL4979244

CC(C)Cn1c(N)nc2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccc3c21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 17/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
HRH2 P25021 1/20 0.45
ADRA1D P25100 1/20 0.45
HTR2A P28223 1/20 0.45
ADORA2A P29274 1/20 0.45
ADRA1A P35348 1/20 0.45
NUDT1 P36639 1/20 0.45
HTR2B P41595 1/20 0.45
PDE4D Q08499 1/20 0.45
KCNH2 Q12809 1/20 0.45
TLR8 Q9NR97 6/20 0.43
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL10180933 0.87 TLR7 (0.35) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL12245253 0.86 TLR7 (0.40) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL12296518 0.86 TLR7 (0.41) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL10180932 0.86 TLR7 (0.34) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL143565 0.85 TLR7 (0.39) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL30448090 0.85 TLR7 (0.39) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL142891 0.84 TLR7 (0.38) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL31092876 0.84 TLR7 (0.38) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL12245291 0.83 TLR7 (0.44) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL12245286 0.83 LMNA (0.41) TLR7LMNAPOLBHRH2ADRA1D

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
WO-2008020330-A9 IMMUNOGENS FROM UROPATHOGENIC ESCHERICHIA COLI NOVARTIS AG (CH) 2008-10-23 WO disclosed