SCHEMBL6197861

SCHEMBL6197861

CN(C)CCc1cc(C(=O)Nc2ccc3c(c2)-c2c(c(C(N)=O)nn2-c2ccc(F)cc2)CC3)c(Cl)cn1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.83
CHUK O15111 1/20 0.71

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
SCHEMBL5346528 0.91 IKBKB (1.00) IKBKBCHUK
SCHEMBL6198812 0.90 IKBKB (0.76) IKBKBCHUK
SCHEMBL6199999 0.89 IKBKB (1.00) IKBKBCHUK
SCHEMBL5336397 0.87 IKBKB (0.78) IKBKBCHUK
SCHEMBL6201543 0.86 IKBKB (0.77) IKBKBCHUK
SCHEMBL5333987 0.83 IKBKB (0.70) IKBKBCHUK
SCHEMBL5340228 0.83 IKBKB (1.00) IKBKBCHUK
SCHEMBL29364053 0.83 IKBKB (1.00) IKBKBCHUK
SCHEMBL14558275 0.82 IKBKB (0.74) IKBKBCHUK
SCHEMBL6198796 0.82 IKBKB (0.71) IKBKBCHUK

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