SCHEMBL4592801

SCHEMBL4592801

CC(C)(C)OC(=O)N(CC(CN)c1ccccc1)c1ccc(-c2ccnc3c2ccn3S(=O)(=O)c2ccccc2)s1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 4/20 0.33
CCR5 P51681 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTR6 P50406 2/20 0.31
PIK3C3 Q8NEB9 2/20 0.31
F2 P00734 2/20 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
SCHEMBL8242555 0.91 CCR5 (0.31) CCR5
SCHEMBL4581928 0.90 CYP2C19 (0.38) AKT1CYP2C19HTR6PIK3C3
SCHEMBL8242925 0.74 PIK3C3 (0.42) AKT1CYP2C19HTR6PIK3C3
SCHEMBL8233993 0.74 AKT1 (0.45) AKT1HTR6PIK3C3
SCHEMBL4584318 0.72 PIK3C3 (0.31) CYP2C19PIK3C3
SCHEMBL12346679 0.71 L3MBTL1 (0.40) CYP2C19HTR6PIK3C3
SCHEMBL4633196 0.70 CYP2C19 (0.46) CYP2C19HTR6PIK3C3
SCHEMBL4583522 0.70 AKT1 (0.41) AKT1CYP2C19PIK3C3
SCHEMBL8244308 0.70 SCN9A (0.42) AKT1
SCHEMBL4592678 0.69 AKT1 (0.46) AKT1CYP2C19PIK3C3

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