SCHEMBL5011017

SCHEMBL5011017

CCn1c(-c2nonc2N)nc2c(Cl)ncc(OCC[C@H](C)NC(=O)O)c21

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.55
AKT1 P31749 16/20 0.54
RPS6KA1 Q15418 14/20 0.54
RPS6KA5 O75582 6/20 0.54
ROCK1 Q13464 15/20 0.53
AKT2 P31751 6/20 0.51
AKT3 Q9Y243 3/20 0.50

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
SCHEMBL4303916 0.84 AKT1 (0.52) SLC2A1AKT1RPS6KA1RPS6KA5ROCK1
SCHEMBL4290499 0.83 AKT1 (0.53) SLC2A1AKT1RPS6KA1RPS6KA5ROCK1
SCHEMBL21350454 0.82 AKT1 (0.73) SLC2A1AKT1RPS6KA1RPS6KA5ROCK1
SCHEMBL4295261 0.82 AKT1 (0.61) SLC2A1AKT1RPS6KA1RPS6KA5ROCK1
SCHEMBL4293083 0.80 AKT1 (0.51) SLC2A1AKT1RPS6KA1RPS6KA5ROCK1
SCHEMBL13702485 0.80 AKT1 (0.54) SLC2A1AKT1RPS6KA1RPS6KA5ROCK1
SCHEMBL4297266 0.79 SLC2A1 (0.49) SLC2A1AKT1RPS6KA1RPS6KA5ROCK1
SCHEMBL5053515 0.79 AKT1 (0.51) SLC2A1AKT1RPS6KA1RPS6KA5ROCK1
SCHEMBL4302078 0.79 AKT1 (0.56) SLC2A1AKT1RPS6KA1RPS6KA5ROCK1
SCHEMBL4298408 0.78 SLC2A1 (0.52) SLC2A1AKT1RPS6KA1RPS6KA5ROCK1

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-1948185-A2 INHIBITORS OF AKT ACTIVITY SmithKline Beecham Corporation (US) 2008-07-30 EP disclosed
WO-2007058852-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-05-24 WO disclosed