SCHEMBL2767014

SCHEMBL2767014

CCCCOC(=O)NC(O)Cc1cccc(-c2cc3c(nc(NC(=O)OC(C)(C)CC)c4ncn(C)c43)[nH]2)c1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 19/20 0.49
CHUK O15111 11/20 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
SCHEMBL2784603 0.84 IKBKB (0.59) IKBKBCHUK
SCHEMBL2767015 0.84 CHUK (0.45) IKBKBCHUK
SCHEMBL3551413 0.79 IKBKB (0.53) IKBKBCHUK
SCHEMBL3039776 0.78 IKBKB (0.47) IKBKBCHUK
SCHEMBL2766887 0.74 IKBKB (0.55) IKBKBCHUK
SCHEMBL2769650 0.72 IKBKB (0.68) IKBKBCHUK
SCHEMBL2768475 0.72 IKBKB (0.65) IKBKBCHUK
SCHEMBL2767732 0.72 IKBKB (0.65) IKBKBCHUK
SCHEMBL3041538 0.72 IKBKB (0.75) IKBKBCHUK
SCHEMBL2786241 0.70 IKBKB (0.68) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888584-B1 1, 6 -DIHYDRO- 1,3, 5, 6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AS INHIBITORS OF IKK ENZYME ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2010-04-21 EP disclosed