SCHEMBL14589451

SCHEMBL14589451

CC(=O)NC(C)c1cc(-c2nc3c(nc(NCCN4CCCCC4)c4ncn(C)c43)s2)ccc1F

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.68
CHUK O15111 8/20 0.68

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
SCHEMBL14589449 0.90 IKBKB (0.72) IKBKBCHUK
SCHEMBL5660578 0.89 IKBKB (0.68) IKBKBCHUK
SCHEMBL14589455 0.89 IKBKB (0.77) IKBKBCHUK
SCHEMBL14589450 0.88 IKBKB (0.66) IKBKBCHUK
SCHEMBL14589454 0.88 IKBKB (0.75) IKBKBCHUK
SCHEMBL14589453 0.86 IKBKB (0.63) IKBKBCHUK
SCHEMBL5659147 0.85 IKBKB (0.74) IKBKBCHUK
SCHEMBL14589410 0.85 IKBKB (0.74) IKBKBCHUK
SCHEMBL14589452 0.83 IKBKB (0.59) IKBKBCHUK
SCHEMBL14589448 0.82 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176214-B2 Imidazo-fused oxazolo[4,5-β]pyridine and imidazo-fused thiazolo[4,5-β]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-13 US disclosed
US-7176214-B2 Imidazo-fused oxazolo[4,5-β]pyridine and imidazo-fused thiazolo[4,5-β]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-13 US disclosed