SCHEMBL14431673

SCHEMBL14431673

Cc1cnc2c(NC3CC3)nc3cc(Br)sc3n12

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 19/20 0.54
▸ CHUK O15111 17/20 0.54

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
SCHEMBL5228836 0.84 IKBKB (0.76) IKBKBCHUK
SCHEMBL14431733 0.81 IKBKB (0.74) IKBKBCHUK
SCHEMBL14431694 0.78 IKBKB (0.69) IKBKBCHUK
SCHEMBL14431755 0.78 IKBKB (0.69) IKBKBCHUK
SCHEMBL14431805 0.75 IKBKB (0.72) IKBKBCHUK
SCHEMBL14432239 0.74 IKBKB (0.72) IKBKBCHUK
SCHEMBL14431661 0.72 IKBKB (0.56) IKBKBCHUK
SCHEMBL14431823 0.71 IKBKB (0.62) IKBKBCHUK
SCHEMBL14431542 0.70 IKBKB (1.00) IKBKBCHUK
SCHEMBL5228780 0.70 IKBKB (0.56) 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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