SCHEMBL4583522

SCHEMBL4583522

CC(C)(C)C(NC(=O)O)C(NC(=O)c1ccc(-c2ccnc3c2ccn3S(=O)(=O)c2ccccc2)s1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 4/20 0.41
PIK3C3 Q8NEB9 3/20 0.36
HPGDS O60760 5/20 0.35
CYP2C19 P33261 1/20 0.34
KLKB1 P03952 1/20 0.33
ENPP3 O14638 1/20 0.32
ENPP1 P22413 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
ATP4A P20648 1/20 0.31
ATP4B P51164 1/20 0.31

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
SCHEMBL4592678 0.86 AKT1 (0.46) AKT1PIK3C3HPGDSCYP2C19KLKB1
SCHEMBL4584230 0.83 AKT1 (0.48) AKT1PIK3C3CYP2C19
SCHEMBL8233993 0.80 AKT1 (0.45) AKT1PIK3C3HPGDS
SCHEMBL8243099 0.79 AKT1 (0.47) AKT1HPGDSL3MBTL1
SCHEMBL4633196 0.79 CYP2C19 (0.46) PIK3C3CYP2C19ENPP3ENPP1L3MBTL1
SCHEMBL4583850 0.78 AKT1 (0.67) AKT1HPGDS
SCHEMBL8242925 0.72 PIK3C3 (0.42) AKT1PIK3C3CYP2C19ENPP3ENPP1
SCHEMBL4541679 0.72 AKT1 (0.41) AKT1HPGDS
SCHEMBL10125007 0.72 L3MBTL1 (0.44) PIK3C3ENPP3PTGDR2L3MBTL1
SCHEMBL4592495 0.72 AKT1 (0.46) AKT1PIK3C3CYP2C19KLKB1ENPP3

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