SCHEMBL6505923

SCHEMBL6505923

CN(C)CCOc1ccc(-n2nc(C(N)=O)c3c2-c2cc(NC(=O)c4ccccc4Cl)ccc2CC3)cc1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.64
CHUK O15111 1/20 0.55

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
SCHEMBL5349181 0.96 IKBKB (0.63) IKBKBCHUK
SCHEMBL14558548 0.88 IKBKB (0.66) IKBKBCHUK
SCHEMBL5345042 0.87 IKBKB (0.63) IKBKBCHUK
Hydrochloric Acid SCHEMBL5340358 0.87 IKBKB (0.65) IKBKBCHUK
SCHEMBL5338646 0.87 IKBKB (0.72) IKBKBCHUK
SCHEMBL5338360 0.86 IKBKB (0.69) IKBKBCHUK
SCHEMBL5333382 0.86 IKBKB (0.61) IKBKBCHUK
SCHEMBL5337107 0.85 IKBKB (0.60) IKBKBCHUK
SCHEMBL5334306 0.85 IKBKB (0.71) IKBKBCHUK
SCHEMBL5349481 0.85 IKBKB (0.70) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186743-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION (US) 2007-03-06 US disclosed
US-7186743-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION (US) 2007-03-06 US disclosed
US-6956052-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION (US) 2005-10-18 US disclosed