SCHEMBL1010427

SCHEMBL1010427

CC(C)c1ccc2c(n1)c(N)nc1ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 11/20 0.57
TLR8 Q9NR97 9/20 0.57
ADORA2A P29274 6/20 0.46
ADRA1A P35348 2/20 0.46
KCNH2 Q12809 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
HRH2 P25021 1/20 0.46
ADRA1D P25100 1/20 0.46
HTR2A P28223 1/20 0.46
NUDT1 P36639 1/20 0.46
HTR2B P41595 1/20 0.46
PDE4D Q08499 1/20 0.46
ADORA3 P0DMS8 6/20 0.45
ADORA1 P30542 4/20 0.45
DCPS Q96C86 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41

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
SCHEMBL1008185 0.77 TLR7 (0.54) TLR7TLR8ADORA2AADRA1AKCNH2
SCHEMBL1008808 0.77 ADORA3 (0.51) TLR7TLR8ADORA2AADRA1AKCNH2
SCHEMBL1703456 0.76 TLR7 (0.57) TLR7TLR8ADORA2AADRA1AKCNH2
SCHEMBL1062779 0.74 ADORA3 (0.50) TLR7TLR8ADORA2AADRA1AKCNH2
SCHEMBL12733228 0.74 ADORA3 (0.49) TLR7TLR8ADORA2AADRA1AKCNH2
SCHEMBL1058579 0.74 ADORA3 (0.49) TLR7TLR8ADORA2AADRA1AKCNH2
SCHEMBL1007829 0.73 ADORA2A (0.53) TLR7TLR8ADORA2AADRA1AKCNH2
SCHEMBL1675691 0.73 NCF1 (0.49) TLR7TLR8ADORA2AADRA1AKCNH2
SCHEMBL1009385 0.73 TLR7 (0.54) TLR7TLR8ADORA2AADRA1AKCNH2
SCHEMBL1527890 0.73 TLR7 (1.00) TLR7TLR8ADORA2AADRA1AKCNH2

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
EP-2268618-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2011-01-05 EP disclosed