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Sugi Predict / Compounds / SCHEMBL9975958

SCHEMBL9975958

SCHEMBL9975958

C=C(C)OC(=O)n1nccc1-c1ccc2nn3cc(-c4ccccc4)c(-c4ccc(C5(NC(=O)OC(C)(C)C)CCC5)cc4)nc3c2c1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 20/20 0.49
▸ AKT2 P31751 1/20 0.45

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
SCHEMBL15395255 0.94 AKT1 (0.52) AKT1AKT2
SCHEMBL9976144 0.88 AKT1 (0.52) AKT1AKT2
SCHEMBL9976070 0.84 AKT1 (0.52) AKT1AKT2
SCHEMBL9976100 0.83 AKT1 (0.64) AKT1AKT2
SCHEMBL15388194 0.83 AKT1 (0.64) AKT1AKT2
SCHEMBL15388108 0.82 AKT1 (0.67) AKT1AKT2
SCHEMBL15395285 0.79 AKT1 (0.52) AKT1AKT2
SCHEMBL15388093 0.79 AKT1 (0.77) AKT1AKT2
SCHEMBL9976177 0.79 AKT1 (0.74) AKT1AKT2
SCHEMBL16892851 0.79 AKT1 (0.74) AKT1AKT2

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-2012080237-A1 SUBSTITUTED PYRIMIDO[1,2-B]INDAZOLES AND THEIR USE AS MODULATORS OF THE PI3K/AKT PATHWAY BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-21 — — WO disclosed