SCHEMBL14432452

SCHEMBL14432452

CNc1nc2cc(-c3cccc(C(=O)NCCN4CCOCC4)c3)sc2n2c(C)cnc12

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 19/20 0.66
▸ CHUK O15111 18/20 0.66

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
SCHEMBL14431807 0.87 IKBKB (0.76) IKBKBCHUK
SCHEMBL14432271 0.85 IKBKB (0.52) IKBKBCHUK
SCHEMBL14431777 0.83 IKBKB (0.83) IKBKBCHUK
SCHEMBL14432284 0.82 IKBKB (0.83) IKBKBCHUK
SCHEMBL14431709 0.80 IKBKB (1.00) IKBKBCHUK
SCHEMBL14432400 0.80 IKBKB (0.61) IKBKBCHUK
SCHEMBL14431720 0.80 IKBKB (1.00) IKBKBCHUK
SCHEMBL14431785 0.79 IKBKB (0.82) IKBKBCHUK
SCHEMBL14431711 0.76 IKBKB (0.75) IKBKBCHUK
SCHEMBL14431562 0.75 IKBKB (1.00) 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-1490371-B1 THIOPHENE-BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL MYERS SQUIBB CO (US) 2007-08-15 — — EP disclosed
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