SCHEMBL6159161

SCHEMBL6159161

O=C1[N]N(C2CCNCC2)C(c2ccncc2)=C1c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.38
MAPK11 Q15759 6/20 0.37
MAPK14 Q16539 6/20 0.37
MAPK13 O15264 3/20 0.37
MAPK12 P53778 3/20 0.37
GCGR P47871 2/20 0.35
LSS P48449 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
IKBKB O14920 1/20 0.34
PLAT P00750 3/20 0.34
MAPKAPK2 P49137 1/20 0.34
AKT1 P31749 1/20 0.33
ABCB1 P08183 1/20 0.33

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
SCHEMBL6159800 0.87 NPY5R (0.35) MAPK11MAPK14MAPK13MAPK12PLAT
SCHEMBL6160893 0.86 HTR6 (0.37) KCNH2MAPK11MAPK14MAPK13MAPK12
SCHEMBL6160345 0.82 NR3C1 (0.37) MAPK11MAPK14MAPK13MAPK12LSS
SCHEMBL6164467 0.81 RIPK3 (0.40) KCNH2MAPK11MAPK14GCGRLSS
SCHEMBL6162408 0.79 HTR6 (0.38) KCNH2MAPK11MAPK14MAPK13MAPK12
SCHEMBL6163249 0.72 GCGR (0.40) MAPK11MAPK14MAPK13MAPK12GCGR
SCHEMBL5215605 0.69 KCNH2 (0.43) KCNH2MAPK11MAPK14MAPK13MAPK12
SCHEMBL6160846 0.65 GCGR (0.47) MAPK11MAPK14MAPK13MAPK12GCGR
SCHEMBL5216437 0.64 RIPK3 (0.49) KCNH2MAPK11MAPK14MAPK13MAPK12
SCHEMBL5769180 0.64 GCGR (0.46) MAPK11MAPK14MAPK13MAPK12GCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542680-A1 1, 4, 5-SUBSTITUTED 1, 2-DIHYDRO-PYRAZOL-3-ONE AND 3-ALKOXY-1H-PYRAZOLE DERIVATIVES S TNF-ALPHA AND INTERLEUKIN LOWERING AGENTS FOR THE TREATMENT OF INFLAMMATIONS Amgen Inc. (US) 2005-06-22 EP claimed
WO-2004022055-A1 1, 4, 5-SUBSTITUTED 1, 2-DIHYDRO-PYRAZOL-3-ONE AND 3-ALKOXY-1H-PYRAZOLE DERIVATIVES S TNF-ALPHA AND INTERLEUKIN LOWERING AGENTS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2004-03-18 WO claimed
EP-1542680-A1 1, 4, 5-SUBSTITUTED 1, 2-DIHYDRO-PYRAZOL-3-ONE AND 3-ALKOXY-1H-PYRAZOLE DERIVATIVES S TNF-ALPHA AND INTERLEUKIN LOWERING AGENTS FOR THE TREATMENT OF INFLAMMATIONS Amgen Inc. (US) 2005-06-22 EP disclosed
WO-2004022055-A1 1, 4, 5-SUBSTITUTED 1, 2-DIHYDRO-PYRAZOL-3-ONE AND 3-ALKOXY-1H-PYRAZOLE DERIVATIVES S TNF-ALPHA AND INTERLEUKIN LOWERING AGENTS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2004-03-18 WO disclosed