SCHEMBL6166494

SCHEMBL6166494

CN1CCCC(N2NC=C(c3ccc(Cl)cc3)C2c2ccncc2)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 10/20 0.38
MAPK14 Q16539 10/20 0.38
MAPK13 O15264 6/20 0.38
MAPK12 P53778 6/20 0.38
HTR6 P50406 1/20 0.36
LSS P48449 1/20 0.35
MALT1 Q9UDY8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
HSD11B1 P28845 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
ADRA1B P35368 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
SCHEMBL6162456 0.87 MAPK11 (0.44) MAPK11MAPK14MAPK13MAPK12LSS
SCHEMBL6166497 0.69 MAPK11 (0.40) MAPK11MAPK14MAPK13MAPK12HTR6
SCHEMBL5216464 0.67 MAPK11 (0.43) MAPK11MAPK14MAPK13MAPK12HTR6
SCHEMBL20611963 0.63 LSS (0.50) MAPK11MAPK14LSS
SCHEMBL14519711 0.62 MAPK11 (0.57) MAPK11MAPK14MAPK13MAPK12
SCHEMBL5459338 0.62 MAPK11 (0.53) MAPK11MAPK14MAPK13MAPK12MALT1
SCHEMBL13416033 0.61 LSS (0.74) LSS
SCHEMBL31359760 0.58 NLRP3 (0.52) MALT1
SCHEMBL31359748 0.58 NLRP3 (0.49) MALT1
SCHEMBL31359884 0.58 NLRP3 (0.52) MALT1

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