SCHEMBL4687918

SCHEMBL4687918

CCn1c(-c2nonc2N)nc2c(Cl)ncc(OCC3CCCN(C(=O)O)C3)c21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 16/20 0.52
ROCK1 Q13464 16/20 0.52
RPS6KA1 Q15418 13/20 0.52
AKT2 P31751 9/20 0.52
RPS6KA5 O75582 9/20 0.52
AKT3 Q9Y243 6/20 0.52
ROCK2 O75116 3/20 0.52
GSK3A P49840 3/20 0.52
DAPK3 O43293 2/20 0.52
PRKD3 O94806 2/20 0.52
PIM1 P11309 2/20 0.52
PRKACA P17612 2/20 0.52
MARK3 P27448 2/20 0.52
CLK2 P49760 2/20 0.52
GSK3B P49841 2/20 0.52
PRKX P51817 2/20 0.52
PRKCQ Q04759 2/20 0.52
CIT O14578 1/20 0.52
DCLK1 O15075 1/20 0.52
NUAK1 O60285 1/20 0.52

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
SCHEMBL4685637 0.95 ROCK1 (0.53) AKT1ROCK1RPS6KA1AKT2RPS6KA5
SCHEMBL4066386 0.91 AKT1 (0.56) AKT1ROCK1RPS6KA1AKT2RPS6KA5
SCHEMBL3487408 0.90 ROCK1 (0.53) AKT1ROCK1RPS6KA1AKT2RPS6KA5
SCHEMBL3487791 0.89 AKT1 (0.54) AKT1ROCK1RPS6KA1AKT2RPS6KA5
SCHEMBL3487689 0.87 SLC2A1 (0.49) AKT1ROCK1RPS6KA1AKT2RPS6KA5
SCHEMBL3487842 0.86 ROCK1 (0.52) AKT1ROCK1RPS6KA1AKT2RPS6KA5
SCHEMBL4687940 0.85 SLC2A1 (0.50) AKT1ROCK1RPS6KA1AKT2RPS6KA5
SCHEMBL5088703 0.85 SLC2A1 (0.50) AKT1ROCK1RPS6KA1AKT2RPS6KA5
SCHEMBL3488394 0.83 SLC2A1 (0.49) AKT1ROCK1RPS6KA1AKT2RPS6KA5
SCHEMBL690257 0.82 ROCK1 (0.54) AKT1ROCK1RPS6KA1AKT2RPS6KA5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008121685-A1 METHODS OF USE FOR INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-10-09 WO disclosed
EP-1948188-A2 INHIBITORS OF AKT ACTIVITY SmithKline Beecham Corporation (US) 2008-07-30 EP disclosed
WO-2007058850-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-05-24 WO disclosed