SCHEMBL3992191

SCHEMBL3992191

NCc1nc2ccccc2c2cn(CCO)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.51
TLR7 Q9NYK1 1/20 0.51
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ADORA3 P0DMS8 10/20 0.39
ADORA2A P29274 9/20 0.39
ADORA1 P30542 4/20 0.39
ATM Q13315 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
MITF O75030 1/20 0.34
LMNA P02545 1/20 0.34
TTR P02766 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
RAD52 P43351 1/20 0.34
RAB9A P51151 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
SCHEMBL1233657 0.83 TLR7 (0.71) TLR8TLR7KDM4EALDH1A1MAPT
SCHEMBL5507108 0.73 TLR7 (0.57) TLR8TLR7KDM4EALDH1A1MAPT
SCHEMBL1232530 0.69 TLR7 (0.85) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL6238919 0.69 KMT2A (0.64) KDM4EALDH1A1MAPTHPGDADORA3
SCHEMBL3999205 0.69 TLR8 (0.70) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL16836646 0.68 ATM (0.41) KDM4EALDH1A1MAPTHPGDATM
SCHEMBL29720427 0.68 TLR8 (1.00) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL1233701 0.68 TLR8 (1.00) TLR8TLR7ADORA3ADORA2AADORA1
Hydrochloric Acid SCHEMBL27146527 0.67 KMT2A (0.62) KDM4EALDH1A1MAPTHPGDADORA3
SCHEMBL5506468 0.67 TLR7 (0.60) TLR8TLR7KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1696912-A4 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2009-06-03 EP disclosed
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
EP-1696912-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M Innovative Properties Company (US) 2006-09-06 EP disclosed
WO-2005079195-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-09-01 WO disclosed