SCHEMBL5009042

SCHEMBL5009042

CCCC(COc1cnc(Cl)c2nc(-c3nonc3N)n(CC)c12)CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.49
AKT1 P31749 16/20 0.46
ROCK1 Q13464 15/20 0.46
RPS6KA1 Q15418 14/20 0.46
AKT2 P31751 6/20 0.46
RPS6KA5 O75582 6/20 0.45
AKT3 Q9Y243 2/20 0.45

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
SCHEMBL5009039 0.96 SLC2A1 (0.48) SLC2A1AKT1ROCK1RPS6KA1AKT2
SCHEMBL4298401 0.91 SLC2A1 (0.50) SLC2A1AKT1ROCK1RPS6KA1AKT2
SCHEMBL5010271 0.89 SLC2A1 (0.51) SLC2A1AKT1ROCK1RPS6KA1AKT2
SCHEMBL4292488 0.84 SLC2A1 (0.59) SLC2A1AKT1ROCK1RPS6KA1AKT2
SCHEMBL5012630 0.80 SLC2A1 (0.49) SLC2A1AKT1ROCK1RPS6KA1AKT2
SCHEMBL4290330 0.79 SLC2A1 (0.58) SLC2A1AKT1ROCK1RPS6KA1AKT2
SCHEMBL4298408 0.79 SLC2A1 (0.52) SLC2A1AKT1ROCK1RPS6KA1AKT2
SCHEMBL4303916 0.79 AKT1 (0.52) SLC2A1AKT1ROCK1RPS6KA1AKT2
SCHEMBL4297083 0.78 SLC2A1 (0.51) SLC2A1AKT1ROCK1RPS6KA1AKT2
SCHEMBL13702485 0.78 AKT1 (0.54) SLC2A1AKT1ROCK1RPS6KA1AKT2

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