SCHEMBL6162456

SCHEMBL6162456

CN1CCC(N2NC=C(c3ccc(Cl)cc3)C2c2ccncc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 7/20 0.44
MAPK14 Q16539 7/20 0.44
IKBKB O14920 1/20 0.39
DRD4 P21917 1/20 0.39
MAPK13 O15264 2/20 0.38
MAPK12 P53778 2/20 0.38
POLB P06746 1/20 0.37
MAPK8 P45983 1/20 0.35
KCNH2 Q12809 1/20 0.35
TP53 P04637 1/20 0.34
LSS P48449 1/20 0.34

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
SCHEMBL6166494 0.87 MAPK11 (0.38) MAPK11MAPK14MAPK13MAPK12LSS
SCHEMBL6162461 0.66 MAPK14 (0.47) MAPK11MAPK14IKBKBDRD4MAPK13
SCHEMBL5215352 0.64 MAPK11 (0.51) MAPK11MAPK14DRD4MAPK13MAPK12
SCHEMBL2077345 0.62 QDPR (0.50) MAPK11MAPK14KCNH2TP53LSS
SCHEMBL1922018 0.62 BTK (0.53) MAPK11MAPK14
SCHEMBL5452505 0.61 MAPK11 (0.60) MAPK11MAPK14IKBKBMAPK13MAPK12
SCHEMBL5253769 0.61 MAPK11 (1.00) MAPK11MAPK14KCNH2
SCHEMBL18976877 0.61 DYRK1A (0.46) MAPK11MAPK14IKBKBDRD4KCNH2
SCHEMBL7239508 0.59 LSS (0.73) DRD4POLBLSS
SCHEMBL7239505 0.59 LSS (0.73) DRD4POLBLSS

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