SCHEMBL2766296

SCHEMBL2766296

CCC(=O)NC(C)c1cccc(-c2cc3c(nc(NC)c4ncn(C)c43)[nH]2)c1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 19/20 0.63
CHUK O15111 13/20 0.63

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
SCHEMBL2769027 0.93 IKBKB (0.71) IKBKBCHUK
SCHEMBL2767232 0.92 IKBKB (0.64) IKBKBCHUK
SCHEMBL2767824 0.91 IKBKB (0.59) IKBKBCHUK
SCHEMBL2768716 0.91 IKBKB (0.61) IKBKBCHUK
SCHEMBL3040510 0.91 CHUK (0.72) IKBKBCHUK
SCHEMBL2768081 0.91 IKBKB (0.70) IKBKBCHUK
SCHEMBL2768516 0.91 IKBKB (0.63) IKBKBCHUK
SCHEMBL2766159 0.91 IKBKB (0.72) IKBKBCHUK
SCHEMBL2767460 0.90 IKBKB (0.60) IKBKBCHUK
SCHEMBL2768438 0.90 IKBKB (0.62) 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
US-7737279-B2 1,6-dihydro-1,3,5,6-tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-15 US claimed
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