SCHEMBL4582334

SCHEMBL4582334

NCCC(C(=O)Nc1cc(-c2c[nH]c3ncccc23)c(-c2ccoc2)s1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 11/20 0.51
MAP3K5 Q99683 1/20 0.49
ROCK2 O75116 2/20 0.39
DYRK1A Q13627 5/20 0.37
MAP4K4 O95819 2/20 0.37
MELK Q14680 2/20 0.37
CLK4 Q9HAZ1 2/20 0.37
STK17A Q9UEE5 2/20 0.37
CDK8 P49336 2/20 0.37
CDC7 O00311 1/20 0.37
MAPK14 Q16539 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
GSK3B P49841 2/20 0.37
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
AKT3 Q9Y243 2/20 0.37
CHEK1 O14757 1/20 0.37
RPS6KA5 O75582 1/20 0.37
CHEK2 O96017 1/20 0.37
PRKCG P05129 1/20 0.37

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
SCHEMBL8239665 0.94 AKT1 (0.58) AKT1MAP3K5ROCK2DYRK1AMAP4K4
SCHEMBL4582358 0.84 MAP3K5 (0.49) AKT1MAP3K5ROCK2DYRK1AMAP4K4
SCHEMBL8241818 0.79 AKT1 (0.60) AKT1ROCK2DYRK1AMAP4K4MELK
SCHEMBL8244311 0.79 AKT1 (0.65) AKT1MAP3K5ROCK2DYRK1AMAP4K4
SCHEMBL4582970 0.77 MAP3K5 (0.39) AKT1MAP3K5ROCK2DYRK1AMAP4K4
SCHEMBL8235518 0.76 AKT1 (0.77) AKT1ROCK2DYRK1AMAP4K4MELK
SCHEMBL4583788 0.74 AKT1 (0.46) AKT1MAP3K5ROCK2DYRK1AMAP4K4
SCHEMBL4584368 0.74 AKT1 (0.59) AKT1MAP3K5MAPK14GSK3BAKT3
SCHEMBL13887987 0.72 ROCK1 (0.64) AKT1DYRK1AGSK3BRPS6KA5PRKCG
SCHEMBL4582789 0.72 AKT1 (0.64) AKT1ROCK2DYRK1AMAP4K4MELK

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 5 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 claimed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO claimed
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
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed