SCHEMBL6201212

SCHEMBL6201212

CN1CCN(c2ncc(Cl)c(C(=O)Nc3ccc4c(c3)-c3c(c(C(N)=O)nn3-c3ccc5c(c3)OCO5)CC4)n2)CC1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.80
CHUK O15111 1/20 0.61

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
SCHEMBL5347111 0.89 IKBKB (1.00) IKBKBCHUK
SCHEMBL5338356 0.88 IKBKB (1.00) IKBKBCHUK
SCHEMBL6201878 0.88 IKBKB (0.79) IKBKBCHUK
SCHEMBL5346727 0.87 IKBKB (0.82) IKBKBCHUK
SCHEMBL5337711 0.87 IKBKB (0.73) IKBKBCHUK
SCHEMBL6199806 0.86 IKBKB (0.72) IKBKBCHUK
SCHEMBL5343365 0.84 IKBKB (0.83) IKBKB
SCHEMBL5339914 0.84 IKBKB (0.80) IKBKBCHUK
SCHEMBL5339550 0.83 IKBKB (1.00) IKBKB
SCHEMBL5337725 0.82 IKBKB (1.00) 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 2 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