SCHEMBL5572820

SCHEMBL5572820

CCCn1nc2c(N)nc3ccccc3c2c1CC(C)(C)C1(N)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 18/20 0.42
TLR8 Q9NR97 10/20 0.42
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
CRHBP P24387 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
KMT2A Q03164 1/20 0.34
CRHR2 Q13324 1/20 0.34
NUDT1 P36639 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL1232558 0.86 TLR7 (0.46) TLR7TLR8MEN1MAPTTSHR
SCHEMBL1232808 0.85 TLR7 (0.46) TLR7TLR8MEN1MAPTTSHR
SCHEMBL1232410 0.83 TLR7 (0.51) TLR7TLR8MEN1MAPTTSHR
SCHEMBL1233708 0.82 TLR7 (0.42) TLR7TLR8MEN1MAPTTSHR
SCHEMBL1232471 0.82 TLR7 (0.42) TLR7TLR8MEN1MAPTTSHR
SCHEMBL1233793 0.81 TLR7 (0.42) TLR7TLR8NUDT1
SCHEMBL1233234 0.81 TLR7 (0.48) TLR7TLR8MEN1MAPTTSHR
SCHEMBL1233720 0.81 TLR7 (0.40) TLR7TLR8ADORA3ADORA2A
SCHEMBL1233851 0.81 TLR7 (0.53) TLR7TLR8MEN1MAPTKMT2A
SCHEMBL1776731 0.79 TLR7 (0.42) TLR7TLR8MEN1MAPTTSHR

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-1863809-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF Coley Pharmaceutical Group, Inc. (US) 2007-12-12 EP disclosed
WO-2006107753-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-10-12 WO disclosed