SCHEMBL1896699

SCHEMBL1896699

CCCn1nc2c(N)nc3c(C(C)C)cccc3c2c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.37
LMNA P02545 3/20 0.36
TLR8 Q9NR97 3/20 0.34
TLR7 Q9NYK1 3/20 0.34
MAPT P10636 3/20 0.34
TSHR P16473 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TP53 P04637 2/20 0.34
CYP1A2 P05177 2/20 0.34
GLA P06280 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
HPGD P15428 2/20 0.34
CYP2C19 P33261 2/20 0.34
HSD17B10 Q99714 2/20 0.34
GAA P10253 1/20 0.34
ADORA2A P29274 2/20 0.34
ADORA3 P0DMS8 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
SCHEMBL1900995 0.84 HSP90AB1 (0.43) LMNATLR8TLR7MAPTKDM4E
SCHEMBL1896698 0.83 ELANE (0.38) CASRLMNATLR8TLR7MAPT
SCHEMBL1898044 0.82 TLR8 (0.42) LMNATLR8TLR7MAPTTSHR
SCHEMBL1898389 0.78 TLR7 (0.52) LMNATLR8TLR7MAPTTSHR
SCHEMBL1901666 0.78 ADORA2A (0.41) TLR8TLR7CYP3A4CYP2C9CYP2C19
SCHEMBL1897133 0.71 SLC6A4 (0.43) TLR7
SCHEMBL1900994 0.71 TLR8 (0.39) TLR8TLR7MAPTTSHRADORA2A
Hydrochloric Acid SCHEMBL1897933 0.71 SLC6A4 (0.45) TLR8TLR7
SCHEMBL1898043 0.70 ELANE (0.43) TLR8TLR7MAPTTSHRPOLB
SCHEMBL1894211 0.68 TLR7 (0.41) LMNATLR8TLR7MAPTTSHR

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