SCHEMBL2552239

SCHEMBL2552239

N[C@@H](C=O)C(c1ccc(Cl)cc1)N1CCN(c2ncnc3c2CCC3O)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 14/20 0.41
AKT1 P31749 13/20 0.41
AKT3 Q9Y243 13/20 0.41
AKT1S1 Q96B36 4/20 0.41
PIK3CA P42336 1/20 0.37
PRKG1 Q13976 1/20 0.37
GSK3B P49841 1/20 0.37
RPS6KB1 P23443 2/20 0.36

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
SCHEMBL2554867 0.86 AKT1 (0.36) AKT2AKT1AKT3PIK3CAPRKG1
SCHEMBL2557651 0.86 AKT1 (0.36) AKT2AKT1AKT3PIK3CAPRKG1
SCHEMBL2556845 0.81 AKT1 (0.63) AKT2AKT1AKT3PIK3CAPRKG1
SCHEMBL2552466 0.81 AKT1 (0.63) AKT2AKT1AKT3PIK3CAPRKG1
SCHEMBL12813058 0.76 AKT1 (0.38) AKT2AKT1AKT3AKT1S1RPS6KB1
SCHEMBL2554086 0.76 AKT1 (0.38) AKT2AKT1AKT3AKT1S1RPS6KB1
SCHEMBL191806 0.74 AKT1 (0.65) AKT2AKT1AKT3AKT1S1
SCHEMBL6017288 0.72 KIT (0.38) AKT2AKT1AKT3AKT1S1RPS6KB1
SCHEMBL2558437 0.72 AKT1 (0.52) AKT2AKT1AKT3PIK3CAPRKG1
SCHEMBL2553339 0.72 AKT1 (0.53) AKT2AKT1AKT3PIK3CAPRKG1

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