SCHEMBL14626693

SCHEMBL14626693

CCNCc1cc(-c2cc(C(N)=O)c3[nH]cc(C4CCNCC4)c3c2)ccc1F

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.60
CHUK O15111 6/20 0.60
BTK Q06187 2/20 0.48
CSF1R P07333 1/20 0.48
AURKA O14965 1/20 0.47
FLT3 P36888 1/20 0.47
CSNK1E P49674 1/20 0.47

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
SCHEMBL14626924 0.91 IKBKB (0.62) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL553486 0.88 IKBKB (0.68) IKBKBCHUKBTKCSF1RAURKA
Trifluoroacetic Acid SCHEMBL552710 0.84 IKBKB (0.64) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL3797172 0.80 IKBKB (0.80) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL551689 0.80 IKBKB (0.69) IKBKBCHUKBTKAURKAFLT3
SCHEMBL14627024 0.79 IKBKB (0.55) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL553285 0.79 IKBKB (0.67) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL4688652 0.78 IKBKB (0.80) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL4687061 0.78 IKBKB (0.80) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL552244 0.78 IKBKB (0.65) IKBKBCHUKBTKCSF1RAURKA

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
WO-2007005534-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-01-11 WO disclosed