SCHEMBL6869706

SCHEMBL6869706

Nc1cc(CNC(=O)c2ccccc2Br)cc(N)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.59
TSHR P16473 1/20 0.59
KMT2A Q03164 3/20 0.52
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
NLRP3 Q96P20 1/20 0.48
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 1/20 0.46
NSD2 O96028 2/20 0.46
PRNP P04156 1/20 0.46
METAP2 P50579 1/20 0.46
APEX1 P27695 1/20 0.45
GAA P10253 2/20 0.44
GALR3 O60755 1/20 0.44
NR2F2 P24468 1/20 0.44
MEN1 O00255 1/20 0.44
PLAU P00749 1/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL8055115 0.80 HPGD (0.71) HPGDTSHRKMT2APOLBHTT
SCHEMBL10107711 0.74 HPGD (0.56) HPGDTSHRKMT2APOLBHTT
SCHEMBL28710986 0.73 KMT2A (0.62) HPGDTSHRKMT2APOLBHTT
SCHEMBL10107716 0.71 APEX1 (0.66) HPGDKMT2AALDH1A1APEX1GAA
SCHEMBL10605246 0.71 HPGD (0.57) HPGDTSHRKMT2APOLBHTT
SCHEMBL406053 0.70 CA1 (0.58) HPGDKMT2APOLBHTTNLRP3
SCHEMBL1394561 0.70 HPGD (0.69) HPGDKMT2APOLBALDH1A1KDM4E
SCHEMBL10107715 0.70 ALDH1A1 (0.60) HPGDKMT2APOLBHTTALDH1A1
SCHEMBL28012529 0.70 NLRP3 (0.60) HPGDTSHRPOLBHTTNLRP3
SCHEMBL16508415 0.70 HTT (0.53) HPGDTSHRKMT2APOLBHTT

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
CN-1221551-C Aminotriazolopyridiine derivatives as adenosine receptor ligands HOFFMANN LA ROCHE (CH) 2005-10-05 CN disclosed
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