SCHEMBL4584383

SCHEMBL4584383

NCCC(NC(=O)c1ccc(-c2ccnc3[nH]ccc23)s1)c1ccccc1

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 16/20 0.85
AKT2 P31751 1/20 0.61
AKT3 Q9Y243 1/20 0.61
HPGDS O60760 1/20 0.52

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
SCHEMBL8242482 0.94 AKT1 (0.82) AKT1AKT2AKT3HPGDS
SCHEMBL29644967 0.92 AKT1 (1.00) AKT1AKT2AKT3HPGDS
SCHEMBL4585624 0.92 AKT1 (1.00) AKT1AKT2AKT3HPGDS
SCHEMBL21067542 0.92 AKT1 (1.00) AKT1AKT2AKT3HPGDS
SCHEMBL8244330 0.87 AKT1 (0.79) AKT1AKT2AKT3HPGDS
SCHEMBL4584324 0.86 AKT1 (0.85) AKT1AKT2AKT3HPGDS
SCHEMBL4632798 0.85 AKT1 (0.71) AKT1AKT2AKT3HPGDS
SCHEMBL4583357 0.83 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL4584796 0.83 AKT1 (0.86) AKT1AKT2AKT3
SCHEMBL8241988 0.83 AKT1 (0.76) AKT1AKT2AKT3

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