SCHEMBL4592678

SCHEMBL4592678

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 11/20 0.46
PPARG P37231 1/20 0.35
HPGDS O60760 2/20 0.34
PIK3C3 Q8NEB9 1/20 0.33
AKT2 P31751 1/20 0.33
AKT3 Q9Y243 1/20 0.33
KLKB1 P03952 1/20 0.33
CYP2C19 P33261 1/20 0.32

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
SCHEMBL4583522 0.86 AKT1 (0.41) AKT1HPGDSPIK3C3KLKB1CYP2C19
SCHEMBL8233993 0.85 AKT1 (0.45) AKT1PPARGHPGDSPIK3C3AKT2
SCHEMBL8243099 0.83 AKT1 (0.47) AKT1PPARGHPGDS
SCHEMBL4633196 0.77 CYP2C19 (0.46) PIK3C3CYP2C19
SCHEMBL4592495 0.74 AKT1 (0.46) AKT1PPARGPIK3C3KLKB1CYP2C19
SCHEMBL8233302 0.73 AKT1 (0.63) AKT1AKT2AKT3
SCHEMBL8241464 0.72 ATM (0.39) AKT1PIK3C3
SCHEMBL4584230 0.70 AKT1 (0.48) AKT1PIK3C3AKT2AKT3CYP2C19
SCHEMBL8240638 0.70 AKT1 (0.51) AKT1PIK3C3AKT2AKT3
SCHEMBL8242925 0.70 PIK3C3 (0.42) AKT1PIK3C3CYP2C19

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