SCHEMBL8243113

SCHEMBL8243113

CC(C)(C)OC(=O)NCCOc1c(C(=O)N[C@H](CN)Cc2cccc(C(F)(F)F)c2)sc(-c2ccnc3[nH]ccc23)c1Br

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 18/20 0.64
AKT2 P31751 13/20 0.64
AKT3 Q9Y243 12/20 0.64
ROCK1 Q13464 2/20 0.52
EGFR P00533 1/20 0.52
PIM1 P11309 1/20 0.52
PRKCA P17252 1/20 0.52
SYK P43405 1/20 0.52
MAPKAPK2 P49137 1/20 0.52
GSK3B P49841 1/20 0.52
MAPK14 Q16539 1/20 0.52
ROCK2 O75116 1/20 0.39

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
SCHEMBL8239842 0.88 AKT1 (0.73) AKT1AKT2AKT3ROCK1EGFR
SCHEMBL4584125 0.79 AKT1 (0.68) AKT1AKT2AKT3ROCK1EGFR
SCHEMBL4603822 0.79 AKT1 (1.00) AKT1AKT2AKT3ROCK1EGFR
SCHEMBL4582695 0.79 AKT1 (0.67) AKT1AKT2AKT3ROCK1EGFR
SCHEMBL4582184 0.78 AKT1 (0.44) AKT1AKT2AKT3
SCHEMBL4583618 0.77 AKT1 (0.69) AKT1AKT2AKT3ROCK1EGFR
SCHEMBL8240248 0.77 AKT1 (0.71) AKT1AKT2AKT3ROCK1EGFR
SCHEMBL4583298 0.75 AKT1 (0.76) AKT1AKT2AKT3ROCK1EGFR
SCHEMBL4582913 0.75 AKT1 (0.72) AKT1AKT2AKT3ROCK1EGFR
SCHEMBL8240473 0.74 AKT1 (0.72) AKT1AKT2AKT3ROCK1EGFR

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