SCHEMBL4543363

SCHEMBL4543363

Cn1nccc1-c1cc(C(=O)N[C@@H](Cc2ccccc2C(F)(F)F)C(NC(=O)O)C(C)(C)C)sc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.39
AKT2 P31751 2/20 0.39
AKT3 Q9Y243 2/20 0.39
CIT O14578 1/20 0.39
ROCK2 O75116 1/20 0.39
PRKCB P05771 1/20 0.39
PRKCA P17252 1/20 0.39
PRKACA P17612 1/20 0.39
PRKACB P22694 1/20 0.39
ROCK1 Q13464 1/20 0.39
PKN1 Q16512 1/20 0.39
PRKD2 Q9BZL6 1/20 0.39
P2RX7 Q99572 3/20 0.36
MAPK1 P28482 1/20 0.35
SCN9A Q15858 6/20 0.34
SCN10A Q9Y5Y9 3/20 0.34
EPHX2 P34913 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL4541109 0.88 AKT1 (0.53) AKT1AKT2AKT3CITROCK2
SCHEMBL4543991 0.85 AKT1 (0.45) AKT1AKT2AKT3CITROCK2
SCHEMBL3506813 0.84 AKT1 (0.43) AKT1AKT2AKT3CITROCK2
SCHEMBL3506810 0.84 AKT1 (0.43) AKT1AKT2AKT3CITROCK2
SCHEMBL1529533 0.84 AKT3 (0.53) AKT1AKT2AKT3CITROCK2
SCHEMBL4379140 0.83 AKT1 (0.40) AKT1AKT2AKT3CITROCK2
SCHEMBL4379890 0.82 AKT1 (0.43) AKT1AKT2AKT3EPHX2
SCHEMBL1529896 0.81 AKT1 (0.41) AKT1AKT2AKT3CITROCK2
SCHEMBL1529893 0.81 AKT1 (0.41) AKT1AKT2AKT3CITROCK2
SCHEMBL4553919 0.81 AKT1 (0.38) AKT1P2RX7MAPK1SCN9ASCN10A

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-2117523-A1 INHIBITORS OF AKT ACTIVITY SmithKline Beecham Corporation (US) 2009-11-18 EP disclosed
WO-2008098104-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-08-14 WO disclosed