SCHEMBL6199573

SCHEMBL6199573

Cc1cc(Cl)ncc1C(=O)Nc1ccc2c(c1)-c1c(c(C(N)=O)nn1-c1ccc3c(c1)OCO3)CC2

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.74
CHUK O15111 1/20 0.54

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
SCHEMBL5339914 0.91 IKBKB (0.80) IKBKBCHUK
SCHEMBL5341564 0.88 IKBKB (0.72) IKBKB
SCHEMBL5337743 0.87 IKBKB (0.82) IKBKB
SCHEMBL5342397 0.87 IKBKB (0.72) IKBKBCHUK
SCHEMBL5333060 0.87 IKBKB (0.78) IKBKB
SCHEMBL5339928 0.87 IKBKB (0.79) IKBKBCHUK
SCHEMBL5340034 0.86 IKBKB (0.77) IKBKBCHUK
SCHEMBL5349338 0.86 IKBKB (0.77) IKBKBCHUK
SCHEMBL5349038 0.86 IKBKB (0.82) IKBKB
SCHEMBL5341043 0.85 IKBKB (0.73) IKBKB

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-1501805-A1 SUBSTITUTED PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2005-02-02 EP claimed
WO-2003095430-A1 SUBSTITUTED PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-11-20 WO claimed
EP-1501805-A1 SUBSTITUTED PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2005-02-02 EP disclosed
WO-2003095430-A1 SUBSTITUTED PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-11-20 WO disclosed