SCHEMBL2229462

SCHEMBL2229462

CC(O)c1ccnc2c(N)nc3ccccc3c12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 13/20 0.44
TLR8 Q9NR97 9/20 0.44
ADORA2A P29274 4/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HRH2 P25021 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR2A P28223 1/20 0.43
ADRA1A P35348 1/20 0.43
NUDT1 P36639 1/20 0.43
HTR2B P41595 1/20 0.43
PDE4D Q08499 1/20 0.43
KCNH2 Q12809 1/20 0.43
ADORA3 P0DMS8 3/20 0.37
ADORA1 P30542 2/20 0.37
NCF1 P14598 1/20 0.36
DCPS Q96C86 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
SCHEMBL1007693 0.78 TLR7 (0.49) TLR7TLR8ADORA2ALMNAPOLB
SCHEMBL1703454 0.77 TLR7 (0.52) TLR7TLR8ADORA2ALMNAPOLB
SCHEMBL1010420 0.75 LMNA (0.44) TLR7TLR8ADORA2ALMNAPOLB
SCHEMBL14694195 0.72 TLR7 (0.40) TLR7TLR8ADORA2ALMNAPOLB
SCHEMBL14694192 0.72 TLR7 (0.40) TLR7TLR8ADORA2ALMNAPOLB
SCHEMBL13868217 0.72 NCF1 (0.47) ADRA1DADRA1ANCF1
SCHEMBL1496311 0.72 NCF1 (0.47) ADRA1DADRA1ANCF1
SCHEMBL19272107 0.72 NCF1 (0.47) ADRA1DADRA1ANCF1
SCHEMBL14431011 0.72 NCF1 (0.47) ADRA1DADRA1ANCF1
SCHEMBL1062179 0.71 BACE1 (0.49) TLR7TLR8ADORA2ALMNAPOLB

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-2512478-A1 HOMOGENEOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF Novartis AG (CH) 2012-10-24 EP disclosed
WO-2011084549-A1 HOMOGENEOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2011-07-14 WO disclosed