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SCHEMBL30802499

SCHEMBL30802499

CC(C)(C)OC(=O)NC1CCN(C(=O)c2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5ccccc5)nc43)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 20/20 0.56
▸ AKT2 P31751 11/20 0.55
▸ AKT3 Q9Y243 11/20 0.55
▸ CYP1A2 P05177 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ CYP2C8 P10632 2/20 0.51
▸ CYP2D6 P10635 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51

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
SCHEMBL27226645 0.88 AKT1 (0.58) AKT1AKT2AKT3CYP1A2CYP3A4
SCHEMBL30802374 0.88 AKT1 (0.58) AKT1AKT2AKT3CYP1A2CYP3A4
SCHEMBL30814897 0.87 AKT1 (0.56) AKT1AKT2AKT3CYP1A2CYP3A4
SCHEMBL30815042 0.87 AKT1 (0.56) AKT1AKT2AKT3CYP1A2CYP3A4
SCHEMBL25385358 0.87 AKT1 (0.62) AKT1AKT2AKT3CYP1A2CYP3A4
SCHEMBL30574823 0.87 AKT1 (0.62) AKT1AKT2AKT3CYP1A2CYP3A4
SCHEMBL30574791 0.87 AKT1 (0.62) AKT1AKT2AKT3CYP1A2CYP3A4
SCHEMBL30826651 0.86 AKT1 (0.55) AKT1AKT2AKT3CYP1A2CYP3A4
SCHEMBL30802381 0.86 AKT1 (0.56) AKT1AKT2AKT3CYP1A2CYP3A4
SCHEMBL27262430 0.86 AKT1 (0.56) AKT1AKT2AKT3CYP1A2CYP3A4

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-2024054512-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. (US) 2024-03-14 — — WO disclosed