SCHEMBL6863790

SCHEMBL6863790

Cc1ccc(-c2nc3cc(C(=O)NCCC4CCCCC4)cc(N)n3n2)s1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIT P10721 4/20 0.46
MAPK14 Q16539 3/20 0.46
LCK P06239 1/20 0.45
SRC P12931 1/20 0.45
ADORA2A P29274 9/20 0.41
LDLR P01130 1/20 0.41
KLKB1 P03952 1/20 0.39
SCD O00767 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK11 Q15759 1/20 0.36
METTL3 Q86U44 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
SCHEMBL6869707 0.91 KIT (0.44) KITADORA2AKLKB1NPC1RAB9A
SCHEMBL6874298 0.86 KIT (0.40) KITMAPK14LCKSRCADORA2A
SCHEMBL6870443 0.86 LMNA (0.45) KITADORA2ANPC1RAB9A
SCHEMBL6871700 0.83 SMN1; SMN2 (0.41) ADORA2ANPC1RAB9AL3MBTL1
SCHEMBL6871382 0.80 ADORA2A (0.59) KITMAPK14LCKSRCADORA2A
SCHEMBL6869836 0.79 ADORA2A (0.61) ADORA2A
SCHEMBL6863351 0.78 PLAU (0.47) ADORA2AKLKB1HDAC1HDAC2
SCHEMBL6869714 0.77 ADORA2A (0.43) ADORA2ANPC1RAB9A
SCHEMBL6863785 0.77 ADORA2A (0.44) ADORA2ARAB9A
SCHEMBL6871437 0.76 ADORA2A (0.47) ADORA2ANPC1RAB9A

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 8 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
EP-1347974-A1 AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-01 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
WO-2002048145-A1 AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2002-06-20 WO 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