SCHEMBL8233993

SCHEMBL8233993

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 8/20 0.45
PIK3C3 Q8NEB9 2/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARG P37231 1/20 0.33
HPGDS O60760 1/20 0.33
HTR6 P50406 2/20 0.33
BCHE P06276 1/20 0.32
ACKR3 P25106 1/20 0.32
DYRK1A Q13627 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
AKT2 P31751 1/20 0.32
AKT3 Q9Y243 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
SCHEMBL4592678 0.85 AKT1 (0.46) AKT1PIK3C3PPARGHPGDSAKT2
SCHEMBL8240638 0.84 AKT1 (0.51) AKT1PIK3C3AKT2AKT3
SCHEMBL8241464 0.84 ATM (0.39) AKT1PIK3C3MEN1POLBKMT2A
SCHEMBL4583522 0.80 AKT1 (0.41) AKT1PIK3C3HPGDS
SCHEMBL8242361 0.80 AKT1 (0.71) AKT1HPGDSAKT2AKT3
SCHEMBL8243099 0.80 AKT1 (0.47) AKT1PPARGHPGDS
SCHEMBL8242925 0.79 PIK3C3 (0.42) AKT1PIK3C3MEN1POLBKMT2A
SCHEMBL8240491 0.77 PIK3C3 (0.38) AKT1PIK3C3MEN1POLBKMT2A
SCHEMBL8244308 0.77 SCN9A (0.42) AKT1
SCHEMBL4592495 0.76 AKT1 (0.46) AKT1PIK3C3PPARGHTR6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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