SCHEMBL30852728

SCHEMBL30852728

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 20/20 1.00
▸ ROCK1 Q13464 17/20 1.00
▸ RPS6KA1 Q15418 16/20 1.00
▸ RPS6KA5 O75582 8/20 0.78
▸ AKT2 P31751 10/20 0.74
▸ AKT3 Q9Y243 4/20 0.74
▸ GSK3B P49841 3/20 0.54
▸ CIT O14578 1/20 0.52
▸ DCLK1 O15075 1/20 0.52
▸ DAPK3 O43293 1/20 0.52
▸ NUAK1 O60285 1/20 0.52
▸ PIP5K1C O60331 1/20 0.52
▸ ROCK2 O75116 1/20 0.52
▸ ULK1 O75385 1/20 0.52
▸ RPS6KA4 O75676 1/20 0.52
▸ PRKD3 O94806 1/20 0.52
▸ SMC2 O95347 1/20 0.52
▸ LATS1 O95835 1/20 0.52
▸ PAK4 O96013 1/20 0.52
▸ CHEK2 O96017 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
Trifluoroacetic Acid SCHEMBL5062855 0.93 AKT1 (0.90) AKT1ROCK1RPS6KA1RPS6KA5AKT2
SCHEMBL13702486 0.88 AKT1 (1.00) AKT1ROCK1RPS6KA1RPS6KA5AKT2
Trifluoroacetic Acid SCHEMBL5066276 0.86 AKT1 (0.87) AKT1ROCK1RPS6KA1RPS6KA5AKT2
SCHEMBL5062859 0.85 AKT1 (0.81) AKT1ROCK1RPS6KA1RPS6KA5AKT2
SCHEMBL31540346 0.85 AKT1 (0.73) AKT1ROCK1RPS6KA1RPS6KA5AKT2
SCHEMBL31540347 0.85 AKT1 (0.73) AKT1ROCK1RPS6KA1RPS6KA5AKT2
SCHEMBL5066280 0.85 AKT1 (0.80) AKT1ROCK1RPS6KA1RPS6KA5AKT2
SCHEMBL31540348 0.84 AKT1 (0.72) AKT1ROCK1RPS6KA1RPS6KA5AKT2
Trifluoroacetic Acid SCHEMBL5067572 0.82 AKT1 (0.83) AKT1ROCK1RPS6KA1RPS6KA5AKT2
Trifluoroacetic Acid SCHEMBL3488230 0.82 AKT1 (0.88) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250340848-A1 METHODS FOR CHEMICAL REPROGRAMMING AND PLURIPOTENT STEM CELLS PEKING UNIVERSITY (CN) 2025-11-06 — — US disclosed
EP-4602148-A1 METHODS FOR CHEMICAL REPROGRAMMING AND PLURIPOTENT STEM CELLS Peking University (CN) 2025-08-20 — — EP disclosed
WO-2024078119-A1 METHODS FOR CHEMICAL REPROGRAMMING AND PLURIPOTENT STEM CELLS PEKING UNIVERSITY (CN) 2024-04-18 — — WO disclosed
WO-2024078118-A1 CHEMICAL REPROGRAMMING AND PLURIPOTENT STEM CELLS PEKING UNIVERSITY (CN) 2024-04-18 — — WO disclosed
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