SCHEMBL6162461

SCHEMBL6162461

CN1CCC(N2NCC(c3ccc(Cl)cc3)=C2c2ccncc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.47
MAPK11 Q15759 8/20 0.47
MAPK13 O15264 3/20 0.41
MAPK12 P53778 3/20 0.41
DRD4 P21917 1/20 0.39
IKBKB O14920 1/20 0.37
LSS P48449 1/20 0.37
GCGR P47871 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
SCHEMBL6166497 0.86 MAPK11 (0.40) MAPK14MAPK11MAPK13MAPK12LSS
SCHEMBL5215352 0.68 MAPK11 (0.51) MAPK14MAPK11MAPK13MAPK12DRD4
SCHEMBL6162456 0.66 MAPK11 (0.44) MAPK14MAPK11MAPK13MAPK12DRD4
SCHEMBL5253769 0.64 MAPK11 (1.00) MAPK14MAPK11
SCHEMBL1922018 0.63 BTK (0.53) MAPK14MAPK11
SCHEMBL5456450 0.62 MAPK11 (0.71) MAPK14MAPK11MAPK13MAPK12
SCHEMBL5452505 0.62 MAPK11 (0.60) MAPK14MAPK11MAPK13MAPK12IKBKB
SCHEMBL5454918 0.62 MAPK11 (0.67) MAPK14MAPK11MAPK13MAPK12
SCHEMBL18976877 0.62 DYRK1A (0.46) MAPK14MAPK11DRD4IKBKB
SCHEMBL14519545 0.61 MAPK11 (0.66) MAPK14MAPK11MAPK13MAPK12

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