SCHEMBL2783646

SCHEMBL2783646

CC(C)C1CC(c2c[nH]c3c(C(=O)O)cc(Br)cc23)CCS1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 14/20 0.35
CHUK O15111 5/20 0.35
BTK Q06187 2/20 0.34
CSF1R P07333 1/20 0.34
SLC6A4 P31645 3/20 0.32
AURKA O14965 1/20 0.30
FLT3 P36888 1/20 0.30
CSNK1E P49674 1/20 0.30

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
SCHEMBL619275 0.86 GABRA1 (0.37) IKBKBCHUK
SCHEMBL621276 0.78 IKBKB (0.40) IKBKBCHUKBTKCSF1RSLC6A4
SCHEMBL621275 0.78 IKBKB (0.38) IKBKBCHUKBTKCSF1RSLC6A4
SCHEMBL619495 0.77 IKBKB (0.40) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL10211418 0.75 IKBKB (0.38) IKBKBCHUKBTKCSF1RSLC6A4
SCHEMBL621659 0.73 IKBKB (0.48) IKBKBCHUKBTKCSF1RSLC6A4
SCHEMBL621660 0.73 IKBKB (0.59) IKBKBCHUKBTKCSF1RSLC6A4
SCHEMBL620273 0.73 IKBKB (0.39) IKBKBCHUKBTKCSF1RSLC6A4
SCHEMBL620274 0.73 IKBKB (0.43) IKBKBCHUKBTKCSF1RSLC6A4
SCHEMBL621661 0.73 IKBKB (0.48) IKBKBCHUKBTKCSF1RSLC6A4

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
EP-2139322-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS Smithkline Beecham Corporation (US) 2010-01-06 EP disclosed
WO-2008118724-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-02 WO disclosed