SCHEMBL2558236

SCHEMBL2558236

CC(C)N(C)C(C(C=O)c1ccc(C(F)(F)F)cc1F)N1CCN(c2ncnc3c2[C@H](C)C[C@H]3O)CC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 19/20 0.49
▸ AKT2 P31751 19/20 0.49
▸ AKT3 Q9Y243 19/20 0.49
▸ PIK3CA P42336 1/20 0.40
▸ PRKG1 Q13976 1/20 0.40
▸ RPS6KB1 P23443 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
SCHEMBL2553819 0.86 AKT1 (0.50) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL2559471 0.86 AKT1 (0.50) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL2556580 0.81 AKT1 (0.52) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL2555640 0.80 AKT1 (0.51) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL2556234 0.80 AKT1 (0.61) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL2549603 0.80 AKT1 (0.51) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL29822294 0.79 AKT1 (0.67) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL191314 0.79 AKT1 (0.67) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL191315 0.79 AKT1 (0.67) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL15973930 0.78 AKT1 (0.54) AKT1AKT2AKT3PIK3CAPRKG1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558864-A1 FOX03A AS PREDICTIVE BIOMARKER FOR PI3K/AKT KINASE PATHWAY INHIBITOR EFFICACY Genentech, Inc. (US) 2013-02-20 — — EP disclosed
WO-2011130654-A1 FOX03A AS PREDICTIVE BIOMARKER FOR PI3K/AKT KINASE PATHWAY INHIBITOR EFFICACY GENENTECH, INC. (US) 2011-10-20 — — WO disclosed
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