SCHEMBL4633196

SCHEMBL4633196

O=C(O)c1ccc(-c2ccnc3c2ccn3S(=O)(=O)c2ccccc2)s1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 1/20 0.43
HPGD P15428 3/20 0.40
HTR6 P50406 4/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MET P08581 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
ENPP3 O14638 2/20 0.37
ENPP1 P22413 2/20 0.37
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL27848203 0.83 CYP2C19 (0.45) CYP2C19KDM4EHTR6ALDH1A1MET
SCHEMBL10125007 0.81 L3MBTL1 (0.44) PIK3C3MEN1KMT2AENPP3PKM
SCHEMBL4583522 0.79 AKT1 (0.41) CYP2C19PIK3C3ENPP3ENPP1L3MBTL1
SCHEMBL8242925 0.78 PIK3C3 (0.42) CYP2C19HTR6PIK3C3MEN1POLB
SCHEMBL4592678 0.77 AKT1 (0.46) CYP2C19PIK3C3
SCHEMBL4593041 0.76 CYP2C19 (0.47) CYP2C19HPGDHTR6ALDH1A1MET
SCHEMBL4582645 0.76 CYP2C19 (0.42) CYP2C19HTR6METPIK3C3ENPP3
SCHEMBL8233993 0.75 AKT1 (0.45) HTR6PIK3C3MEN1POLBKMT2A
SCHEMBL8243099 0.75 AKT1 (0.47) L3MBTL1
SCHEMBL4582735 0.75 CYP2C19 (0.41) CYP2C19HTR6METPIK3C3ENPP3

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