SCHEMBL8240491

SCHEMBL8240491

CC(C)(C)OC(=O)NCC(C(=O)Nc1csc(-c2ccnc3c2ccn3S(=O)(=O)c2ccccc2)c1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 2/20 0.38
HTR6 P50406 2/20 0.32
BRD4 O60885 1/20 0.32
PTPRB P23467 2/20 0.32
BCHE P06276 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
TTK P33981 1/20 0.31
AKT1 P31749 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
BRD9 Q9H8M2 1/20 0.31
BAZ2B Q9UIF8 1/20 0.31
BAZ2A Q9UIF9 1/20 0.31
CYP2C19 P33261 1/20 0.31
SCN9A Q15858 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
PCSK9 Q8NBP7 1/20 0.30

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
SCHEMBL8242143 0.87 PIK3C3 (0.39) PIK3C3HTR6PTPRBBCHECYP2C19
SCHEMBL8233595 0.79 RORC (0.39) HTR6
SCHEMBL8233993 0.77 AKT1 (0.45) PIK3C3HTR6BCHEAKT1MEN1
SCHEMBL8240354 0.77 AKT1 (0.40) HTR6AKT1SCN9A
SCHEMBL30134921 0.75 EGFR (0.48) PIK3C3MEN1POLBKMT2ASCN9A
SCHEMBL30134898 0.75 EGFR (0.46) PIK3C3CA1CA2MEN1POLB
SCHEMBL8242925 0.74 PIK3C3 (0.42) PIK3C3HTR6BCHECA1AKT1
SCHEMBL30135242 0.74 CIT (0.43) PIK3C3MEN1POLBKMT2A
SCHEMBL30134934 0.74 CIT (0.43) PIK3C3MEN1POLBKMT2A
SCHEMBL30135091 0.74 EGFR (0.44) PIK3C3MEN1POLBKMT2A

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