SCHEMBL31594759

SCHEMBL31594759

C[C@H]1CC(=O)Nc2ncnc(N3CCNC4CC43)c21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 18/20 0.49
▸ AKT3 Q9Y243 17/20 0.49
▸ AKT2 P31751 13/20 0.49
▸ CYP3A4 P08684 6/20 0.49
▸ CYP1A2 P05177 3/20 0.49
▸ CYP2D6 P10635 2/20 0.46
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ PRKCB P05771 3/20 0.41
▸ RPS6KB1 P23443 3/20 0.41
▸ RPS6KA1 Q15418 3/20 0.41

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
SCHEMBL22308093 1.00 AKT1 (0.49) AKT1AKT3AKT2CYP3A4CYP1A2
Hydrochloric Acid SCHEMBL30460118 0.99 AKT1 (0.48) AKT1AKT3AKT2CYP3A4CYP1A2
Hydrochloric Acid SCHEMBL25195685 0.99 AKT1 (0.48) AKT1AKT3AKT2CYP3A4CYP1A2
Hydrochloric Acid SCHEMBL30561592 0.84 AKT3 (0.54) AKT1AKT3AKT2CYP3A4CYP1A2
SCHEMBL24410861 0.81 AKT1 (0.47) AKT1AKT3AKT2CYP3A4CYP1A2
SCHEMBL24410854 0.81 AKT1 (0.47) AKT1AKT3AKT2CYP3A4CYP1A2
Hydrochloric Acid SCHEMBL30021385 0.80 AKT1 (0.46) AKT1AKT3AKT2CYP3A4CYP1A2
SCHEMBL26544134 0.80 AKT1 (0.57) AKT1AKT3AKT2CYP3A4CYP1A2
SCHEMBL31622286 0.79 AKT1 (0.47) AKT1AKT3AKT2CYP3A4CYP1A2
SCHEMBL25403174 0.77 AKT3 (0.64) AKT1AKT3AKT2CYP3A4CYP1A2

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
EP-3919491-B1 AKT INHIBITOR NANJING CHIA TAI TIANQING PHARMACEUTICAL CO LTD (CN) 2025-05-28 — — EP disclosed
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