SCHEMBL4583788

SCHEMBL4583788

NCC(Cc1ccccc1)C(=O)Nc1cc(-c2c[nH]c3ncccc23)c(-c2ccccc2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 10/20 0.46
ROCK1 Q13464 3/20 0.42
AKT3 Q9Y243 4/20 0.41
AKT2 P31751 3/20 0.41
DYRK1A Q13627 2/20 0.41
MELK Q14680 2/20 0.41
STK17A Q9UEE5 2/20 0.41
CDC7 O00311 1/20 0.41
MAP4K4 O95819 1/20 0.41
CDK8 P49336 1/20 0.41
MAPK14 Q16539 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
CAMKK2 Q96RR4 2/20 0.40
CIT O14578 1/20 0.40
JAK3 P52333 2/20 0.40
GSK3B P49841 2/20 0.40
PLK4 O00444 1/20 0.40
CHEK1 O14757 1/20 0.40
MAPK13 O15264 1/20 0.40

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
SCHEMBL4582358 0.91 MAP3K5 (0.49) AKT1ROCK1AKT3AKT2DYRK1A
SCHEMBL8240780 0.88 AKT1 (0.44) AKT1ROCK1AKT3AKT2DYRK1A
SCHEMBL8234027 0.84 AKT1 (0.57) AKT1ROCK1AKT3DYRK1AMELK
SCHEMBL4582970 0.78 MAP3K5 (0.39) AKT1ROCK1AKT3DYRK1AMELK
SCHEMBL8239665 0.77 AKT1 (0.58) AKT1ROCK1AKT3AKT2DYRK1A
SCHEMBL8241935 0.77 AKT1 (0.75) AKT1ROCK1AKT3AKT2MAPK14
SCHEMBL8239835 0.77 DYRK1A (0.40) AKT1ROCK1AKT3DYRK1AMELK
SCHEMBL4584397 0.76 AKT1 (0.37) AKT1ROCK1AKT3AKT2MAPK14
SCHEMBL4582334 0.74 AKT1 (0.51) AKT1ROCK1AKT3AKT2DYRK1A
SCHEMBL8242927 0.74 AKT1 (0.34) AKT1AKT3AKT2

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-1968568-A2 INHIBITORS OF Akt ACTIVITY SmithKline Beecham Corporation (US) 2008-09-17 EP disclosed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed