SCHEMBL6868951

SCHEMBL6868951

CC(C)N(Cc1ccccc1)C(=O)c1cc(N)n2nc(-c3ccccn3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.56
F2 P00734 6/20 0.44
F12 P00748 4/20 0.44
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
KLKB1 P03952 3/20 0.43
ATM Q13315 1/20 0.41
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
PARP1 P09874 1/20 0.40
HSD17B10 Q99714 1/20 0.39
F10 P00742 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL6869794 0.89 ADORA2A (0.59) ADORA2AF2F12KLKB1PLG
SCHEMBL6869917 0.88 ADORA2A (0.58) ADORA2AF2F12KLKB1F10
SCHEMBL6870680 0.88 ADORA2A (0.60) ADORA2AF2F12LMNAMAPT
SCHEMBL6863726 0.86 ADORA2A (0.56) ADORA2AF2F12LMNATP53
SCHEMBL6872444 0.86 ADORA2A (0.48) ADORA2AF2F12LMNATP53
SCHEMBL6870136 0.85 ADORA2A (0.61) ADORA2AF2F12PLGPLAU
SCHEMBL6863238 0.83 ADORA2A (0.47) ADORA2ALMNATP53MAPTATM
SCHEMBL6873020 0.83 ADORA2A (0.53) ADORA2AF2F12PARP1
SCHEMBL6866915 0.83 PSMB5 (0.51) ADORA2AF2F12LMNATP53
SCHEMBL6863310 0.83 ADORA2A (0.64) ADORA2AF2F12LMNAATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1347974-B1 AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2004-11-03 EP claimed
US-6506772-B1 Pharmaceutically active salts thereof with activity as adenosine receptor ligands are disclosed. These compounds are the adenosine receptor. HOFFMANN-LA ROCHE INC. 2003-01-14 US claimed
EP-1347974-B1 AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2004-11-03 EP disclosed
EP-1347974-A1 AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-01 EP disclosed
US-6506772-B1 Pharmaceutically active salts thereof with activity as adenosine receptor ligands are disclosed. These compounds are the adenosine receptor. HOFFMANN-LA ROCHE INC. 2003-01-14 US disclosed
WO-2002048145-A1 AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2002-06-20 WO disclosed