SCHEMBL6160846

SCHEMBL6160846

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCGR P47871 9/20 0.47
LSS P48449 1/20 0.41
MAPK14 Q16539 9/20 0.40
MAPK13 O15264 5/20 0.40
MAPK12 P53778 5/20 0.40
MAPK11 Q15759 5/20 0.40
AKT1 P31749 2/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAF1 P04049 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
SCHEMBL5769180 0.85 GCGR (0.46) GCGRLSSMAPK14MAPK13MAPK12
SCHEMBL8001119 0.85 CYP1A2 (0.47) KDM4ELMNARAB9ACYP1A2MAPT
SCHEMBL6160896 0.83 NPY5R (0.44) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL5048288 0.75 PTGS2 (0.49) KDM4ELMNAMAPT
SCHEMBL196861 0.71 GCGR (0.67) GCGRLSSMAPK14MAPK13MAPK12
SCHEMBL6163249 0.70 GCGR (0.40) GCGRLSSMAPK14MAPK13MAPK12
SCHEMBL3555150 0.68 GCGR (0.58) GCGRLSSMAPK14MAPK13MAPK12
SCHEMBL22137841 0.65 GCGR (0.59) GCGRLSSMAPK14MAPK13MAPK12
SCHEMBL6099737 0.64 GCGR (0.47) GCGRMAPK14MAPK13MAPK12MAPK11
SCHEMBL5215641 0.63 MAPK14 (0.71) GCGRMAPK14MAPK13MAPK12MAPK11

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