SCHEMBL31540346

SCHEMBL31540346

CCn1c(-c2nonc2N)nc2c(C#CCO)ncc(OCCCN(CCS(=O)(=O)O)CCS(=O)(=O)O)c21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 19/20 0.73
▸ ROCK1 Q13464 18/20 0.73
▸ RPS6KA1 Q15418 17/20 0.73
▸ RPS6KA5 O75582 8/20 0.58
▸ AKT2 P31751 9/20 0.57
▸ AKT3 Q9Y243 5/20 0.57
▸ CIT O14578 1/20 0.46
▸ DCLK1 O15075 1/20 0.46
▸ DAPK3 O43293 1/20 0.46
▸ NUAK1 O60285 1/20 0.46
▸ PIP5K1C O60331 1/20 0.46
▸ ROCK2 O75116 1/20 0.46
▸ ULK1 O75385 1/20 0.46
▸ RPS6KA4 O75676 1/20 0.46
▸ PRKD3 O94806 1/20 0.46
▸ SMC2 O95347 1/20 0.46
▸ LATS1 O95835 1/20 0.46
▸ PAK4 O96013 1/20 0.46
▸ CHEK2 O96017 1/20 0.46
▸ PRKCB P05771 1/20 0.46

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
SCHEMBL31540347 0.88 AKT1 (0.73) AKT1ROCK1RPS6KA1RPS6KA5AKT2
SCHEMBL31540348 0.83 AKT1 (0.72) AKT1ROCK1RPS6KA1RPS6KA5AKT2
SCHEMBL5066280 0.73 AKT1 (0.80) AKT1ROCK1RPS6KA1RPS6KA5AKT2
Trifluoroacetic Acid SCHEMBL3488625 0.70 AKT1 (0.88) AKT1ROCK1RPS6KA1RPS6KA5AKT2
SCHEMBL3488629 0.70 AKT1 (0.76) AKT1ROCK1RPS6KA1RPS6KA5AKT2
Hydrochloric Acid SCHEMBL4297263 0.69 AKT1 (0.79) AKT1ROCK1RPS6KA1RPS6KA5AKT2
Trifluoroacetic Acid SCHEMBL5063569 0.69 AKT1 (0.81) AKT1ROCK1RPS6KA1RPS6KA5AKT2
SCHEMBL4066879 0.68 AKT1 (0.84) AKT1ROCK1RPS6KA1RPS6KA5AKT2
SCHEMBL4296447 0.68 AKT1 (0.75) AKT1ROCK1RPS6KA1RPS6KA5AKT2
SCHEMBL4965920 0.66 AKT1 (0.73) AKT1ROCK1RPS6KA1RPS6KA5AKT2

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-2025101867-A1 CELL-IMPERMEABLE AKT INHIBITORS AND PDPK1 INHIBITORS ALBERT EINSTEIN COLLEGE OF MEDICINE (US) 2025-05-15 — — WO disclosed
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