SCHEMBL14627003

SCHEMBL14627003

NC(=O)c1cc(-c2cccc(CN3CCCC3c3cccs3)c2)cc2c(C3CCNCC3)c[nH]c12

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.56
CHUK O15111 6/20 0.56
BTK Q06187 2/20 0.49
CSF1R P07333 1/20 0.49
AURKA O14965 1/20 0.45
FLT3 P36888 1/20 0.45
CSNK1E P49674 1/20 0.45

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
SCHEMBL552682 0.89 IKBKB (0.63) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL14627019 0.79 IKBKB (0.61) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL552383 0.78 IKBKB (0.61) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL3796083 0.77 IKBKB (0.71) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL14626696 0.76 IKBKB (0.66) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL14627007 0.76 IKBKB (0.67) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL14626673 0.76 IKBKB (0.67) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL3800588 0.75 IKBKB (0.72) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL3796938 0.74 IKBKB (1.00) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL551373 0.73 IKBKB (0.73) 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