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Sugi Predict / Compounds / SCHEMBL31455404

SCHEMBL31455404

SCHEMBL31455404

Nc1ncccc1-c1nc2ccc(C3CCOCC3)cc2n1-c1ccc(NC(=O)[C@H]2CC[C@H](C(=O)O)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 16/20 0.48
▸ AKT2 P31751 10/20 0.43
▸ AKT3 Q9Y243 9/20 0.43
▸ TNKS2 Q9H2K2 1/20 0.42
▸ CYP2C9 P11712 3/20 0.39
▸ GBA1 P04062 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ CYP2C8 P10632 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38

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
SCHEMBL31455520 1.00 AKT1 (0.48) AKT1AKT2AKT3TNKS2CYP2C9
SCHEMBL31455571 0.92 AKT1 (0.47) AKT1AKT2AKT3TNKS2CYP2C9
SCHEMBL31455115 0.89 AKT1 (0.48) AKT1AKT2AKT3GBA1
SCHEMBL31455276 0.89 AKT1 (0.48) AKT1AKT2AKT3GBA1
SCHEMBL31455097 0.86 AKT1 (0.55) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL31455457 0.85 AKT1 (0.47) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL31455552 0.84 AKT1 (0.49) AKT1AKT2AKT3CYP2C9
SCHEMBL31455284 0.84 AKT1 (0.49) AKT1AKT2AKT3CYP2C9
SCHEMBL31455298 0.83 AKT1 (0.53) AKT1AKT2AKT3
SCHEMBL31455214 0.81 AKT1 (0.47) AKT1AKT2AKT3GBA1

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-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 — — WO disclosed