SCHEMBL1901666

SCHEMBL1901666

CCCn1nc2c(N)nc3c(Cc4ccccc4)cccc3c2c1N

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.41
ADORA1 P30542 3/20 0.41
ADORA3 P0DMS8 1/20 0.41
TLR8 Q9NR97 5/20 0.39
TLR7 Q9NYK1 8/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KCNH2 Q12809 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ADCY10 Q96PN6 1/20 0.36
TMIGD3 P0DMS9 2/20 0.35
ADORA2B P29275 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
SCHEMBL1898044 0.87 TLR8 (0.42) ADORA2AADORA1ADORA3TLR8TLR7
SCHEMBL1901663 0.84 TLR8 (0.44) ADORA2AADORA1ADORA3TLR8TLR7
SCHEMBL1900995 0.83 HSP90AB1 (0.43) ADORA2AADORA1ADORA3TLR8TLR7
SCHEMBL1898389 0.80 TLR7 (0.52) ADORA2AADORA1ADORA3TLR8TLR7
SCHEMBL1896699 0.78 CASR (0.37) ADORA2AADORA1ADORA3TLR8TLR7
SCHEMBL1897133 0.75 SLC6A4 (0.43) TLR7
Hydrochloric Acid SCHEMBL1897933 0.74 SLC6A4 (0.45) TLR8TLR7
SCHEMBL1898043 0.72 ELANE (0.43) TLR8TLR7
SCHEMBL1894485 0.72 TGFBR1 (0.39) KCNH2
SCHEMBL12667267 0.71 TLR7 (0.48) 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