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Sugi Predict / Compounds / SCHEMBL31455035

SCHEMBL31455035

SCHEMBL31455035

COC(=O)C1CCC(C(=O)Nc2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5ccccc5)cc43)cn2)C1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 15/20 0.46
▸ AKT2 P31751 7/20 0.41
▸ ABL1 P00519 3/20 0.41
▸ AKT3 Q9Y243 5/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ CYP2C9 P11712 3/20 0.39
▸ CYP2C8 P10632 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39

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
SCHEMBL31454978 0.97 AKT1 (0.45) AKT1AKT2ABL1AKT3CDK9
SCHEMBL31455130 0.96 AKT1 (0.48) AKT1AKT2ABL1AKT3CYP2C9
SCHEMBL31455139 0.93 AKT1 (0.50) AKT1AKT2ABL1AKT3CYP2C9
SCHEMBL31455166 0.90 AKT1 (0.50) AKT1AKT2ABL1AKT3
SCHEMBL31455380 0.90 AKT1 (0.49) AKT1AKT2AKT3CDK9CYP2C9
SCHEMBL31455015 0.88 AKT1 (0.59) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL31455334 0.85 AKT1 (0.44) AKT1AKT2ABL1AKT3CYP2C9
SCHEMBL31455057 0.85 AKT1 (0.59) AKT1AKT2AKT3CYP2C9CYP2C8
SCHEMBL31455431 0.85 ABL1 (0.45) AKT1AKT2ABL1AKT3CYP2C9
SCHEMBL31455126 0.84 AKT1 (0.43) AKT1AKT2ABL1AKT3CYP2C9

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