SCHEMBL5741793

SCHEMBL5741793

CC(C)Cc1cccc(O)c1-c1nc(N)c(C#N)c(C2CCCNC2)n1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.59
CHUK O15111 1/20 0.49

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
SCHEMBL5743356 0.92 IKBKB (0.56) IKBKBCHUK
SCHEMBL5744024 0.89 IKBKB (0.59) IKBKBCHUK
Hydrochloric Acid SCHEMBL5741264 0.88 IKBKB (0.68) IKBKBCHUK
Hydrochloric Acid SCHEMBL5743268 0.83 IKBKB (0.63) IKBKBCHUK
Hydrochloric Acid SCHEMBL5743766 0.83 IKBKB (0.69) IKBKBCHUK
Hydrochloric Acid SCHEMBL5742086 0.79 IKBKB (0.76) IKBKBCHUK
SCHEMBL5743013 0.77 ALOX5AP (0.40) IKBKB
Hydrochloric Acid SCHEMBL5742879 0.74 IKBKB (0.63) IKBKBCHUK
Hydrochloric Acid SCHEMBL5743702 0.74 IKBKB (0.98) IKBKBCHUK
SCHEMBL5741321 0.73 IKBKB (0.59) 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-1678146-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2006-07-12 EP claimed
WO-2005040133-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-05-06 WO claimed
EP-1678146-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2006-07-12 EP disclosed
WO-2005040133-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-05-06 WO disclosed