SCHEMBL14050840

SCHEMBL14050840

CCn1c(-c2nonc2N)nc2c(C(C)(C)O)ncc(OC[C@H]3CNCCO3)c21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 0.62
ROCK1 Q13464 18/20 0.62
RPS6KA1 Q15418 15/20 0.62
AKT2 P31751 11/20 0.62
RPS6KA5 O75582 8/20 0.62
AKT3 Q9Y243 6/20 0.61
CIT O14578 1/20 0.61
DCLK1 O15075 1/20 0.61
DAPK3 O43293 1/20 0.61
NUAK1 O60285 1/20 0.61
PIP5K1C O60331 1/20 0.61
ROCK2 O75116 1/20 0.61
ULK1 O75385 1/20 0.61
RPS6KA4 O75676 1/20 0.61
PRKD3 O94806 1/20 0.61
SMC2 O95347 1/20 0.61
LATS1 O95835 1/20 0.61
PAK4 O96013 1/20 0.61
CHEK2 O96017 1/20 0.61
PRKCB P05771 1/20 0.61

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
SCHEMBL14536482 1.00 AKT1 (0.62) AKT1ROCK1RPS6KA1AKT2RPS6KA5
SCHEMBL13435150 0.89 AKT1 (0.80) AKT1ROCK1RPS6KA1AKT2RPS6KA5
SCHEMBL3487654 0.89 AKT1 (0.80) AKT1ROCK1RPS6KA1AKT2RPS6KA5
SCHEMBL3487959 0.89 AKT1 (0.80) AKT1ROCK1RPS6KA1AKT2RPS6KA5
SCHEMBL14050892 0.88 AKT1 (0.58) AKT1ROCK1RPS6KA1AKT2RPS6KA5
SCHEMBL14050839 0.88 AKT1 (0.79) AKT1ROCK1RPS6KA1AKT2RPS6KA5
Hydrochloric Acid SCHEMBL3487539 0.88 AKT1 (0.79) AKT1ROCK1RPS6KA1AKT2RPS6KA5
SCHEMBL13461478 0.87 AKT1 (0.80) AKT1ROCK1RPS6KA1AKT2RPS6KA5
SCHEMBL13693040 0.87 AKT1 (0.80) AKT1ROCK1RPS6KA1AKT2RPS6KA5
SCHEMBL12837971 0.86 AKT1 (0.72) 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 2 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
WO-2007058850-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-05-24 WO disclosed