SCHEMBL4583850

SCHEMBL4583850

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

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 18/20 0.67
HPGDS O60760 1/20 0.50
AKT2 P31751 2/20 0.47
AKT3 Q9Y243 2/20 0.47

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
SCHEMBL21067542 0.80 AKT1 (1.00) AKT1HPGDSAKT2AKT3
SCHEMBL29644967 0.80 AKT1 (1.00) AKT1HPGDSAKT2AKT3
SCHEMBL4585624 0.80 AKT1 (1.00) AKT1HPGDSAKT2AKT3
SCHEMBL8244330 0.79 AKT1 (0.79) AKT1HPGDSAKT2AKT3
SCHEMBL4584383 0.79 AKT1 (0.85) AKT1HPGDSAKT2AKT3
SCHEMBL4583522 0.78 AKT1 (0.41) AKT1HPGDS
SCHEMBL4632798 0.78 AKT1 (0.71) AKT1HPGDSAKT2AKT3
SCHEMBL8242361 0.78 AKT1 (0.71) AKT1HPGDSAKT2AKT3
SCHEMBL4582661 0.77 AKT1 (0.71) AKT1HPGDSAKT2AKT3
SCHEMBL8242482 0.77 AKT1 (0.82) AKT1HPGDSAKT2AKT3

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