SCHEMBL4541109

SCHEMBL4541109

Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H](Cc2ccccc2C(F)(F)F)C(NC(=O)O)C(C)(C)C)sc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 9/20 0.53
AKT2 P31751 4/20 0.53
AKT3 Q9Y243 4/20 0.53
ROCK2 O75116 2/20 0.53
PRKCB P05771 2/20 0.53
PRKCA P17252 2/20 0.53
PRKACA P17612 2/20 0.53
PRKACB P22694 2/20 0.53
ROCK1 Q13464 2/20 0.53
PKN1 Q16512 2/20 0.53
PRKD2 Q9BZL6 2/20 0.53
CIT O14578 1/20 0.53
NTRK1 P04629 1/20 0.39
P2RX7 Q99572 2/20 0.37
HTR2A P28223 3/20 0.36
SGK1 O00141 1/20 0.36
PRKD3 O94806 1/20 0.36
LATS1 O95835 1/20 0.36
PRKCG P05129 1/20 0.36
RPS6KB1 P23443 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
SCHEMBL4543991 0.93 AKT1 (0.45) AKT1AKT2AKT3ROCK2PRKCB
SCHEMBL4543363 0.88 AKT1 (0.39) AKT1AKT2AKT3ROCK2PRKCB
SCHEMBL3509203 0.84 AKT1 (0.58) AKT1AKT2AKT3ROCK2PRKCB
SCHEMBL3509207 0.84 AKT1 (0.58) AKT1AKT2AKT3ROCK2PRKCB
SCHEMBL1529486 0.84 AKT1 (0.71) AKT1AKT2AKT3ROCK2PRKCB
SCHEMBL12679218 0.84 AKT1 (0.61) AKT1AKT2AKT3ROCK2PRKCB
SCHEMBL4379890 0.82 AKT1 (0.43) AKT1AKT2AKT3MCL1
SCHEMBL1530242 0.81 AKT1 (0.55) AKT1AKT2AKT3ROCK2PRKCB
SCHEMBL1530240 0.81 AKT1 (0.55) AKT1AKT2AKT3ROCK2PRKCB
SCHEMBL12679246 0.79 AKT1 (0.54) AKT1AKT2AKT3ROCK2PRKCB

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