SCHEMBL1901663

SCHEMBL1901663

CCCn1nc2c(N)nc3cccc(Cc4ccccc4)c3c2c1N

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 8/20 0.44
TLR7 Q9NYK1 8/20 0.40
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
DHFR P00374 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
CRHBP P24387 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
KMT2A Q03164 1/20 0.37
CRHR2 Q13324 1/20 0.37
ADCY10 Q96PN6 1/20 0.36
ADORA2B P29275 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
SCHEMBL1898043 0.87 ELANE (0.43) TLR8TLR7MEN1MAPTTSHR
SCHEMBL1901666 0.84 ADORA2A (0.41) TLR8TLR7ADORA2AADORA1ADORA3
SCHEMBL1900994 0.83 TLR8 (0.39) TLR8TLR7ADORA2AADORA3MEN1
SCHEMBL1898389 0.80 TLR7 (0.52) TLR8TLR7ADORA2AADORA1ADORA3
SCHEMBL1896698 0.78 ELANE (0.38) TLR8TLR7ADORA2AMEN1MAPT
SCHEMBL1897131 0.75 SLC6A4 (0.37) TLR8TLR7
Hydrochloric Acid SCHEMBL1897931 0.74 SLC6A4 (0.39) TLR8TLR7
SCHEMBL12667267 0.74 TLR7 (0.48) TLR8TLR7MEN1MAPTTSHR
SCHEMBL1898044 0.72 TLR8 (0.42) TLR8TLR7ADORA2AADORA1ADORA3
SCHEMBL1233512 0.72 TLR7 (0.49) TLR8TLR7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943610-B2 Pyrazolopyridine-1,4-diamines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-05-17 US disclosed
EP-1869043-A2 PYRAZOLOPYRIDINE-1,4-DIAMINES AND ANALOGS THEREOF Coley Pharmaceutical Group, Inc. (US) 2007-12-26 EP disclosed
WO-2006107853-A2 PYRAZOLOPYRIDINE-1,4-DIAMINES AND ANALOGS THEREOF COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-10-12 WO disclosed