SCHEMBL2767015

SCHEMBL2767015

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

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHUK O15111 11/20 0.45
IKBKB O14920 19/20 0.44

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
SCHEMBL2767014 0.84 IKBKB (0.49) CHUKIKBKB
SCHEMBL2784605 0.83 IKBKB (0.54) CHUKIKBKB
SCHEMBL12341877 0.82 IKBKB (0.62) CHUKIKBKB
SCHEMBL12341966 0.82 CHUK (0.53) CHUKIKBKB
SCHEMBL12341878 0.80 IKBKB (0.68) CHUKIKBKB
SCHEMBL12341887 0.80 CHUK (0.59) CHUKIKBKB
SCHEMBL12342080 0.79 CHUK (0.46) CHUKIKBKB
SCHEMBL2767726 0.79 CHUK (0.46) CHUKIKBKB
SCHEMBL2767370 0.79 IKBKB (0.57) CHUKIKBKB
SCHEMBL2768396 0.79 CHUK (0.57) CHUKIKBKB

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