SCHEMBL2554867

SCHEMBL2554867

C[C@H]1CN(C(c2ccc(Cl)cc2)C(N)C=O)CCN1c1ncnc2c1CC[C@H]2O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 15/20 0.36
AKT2 P31751 15/20 0.36
AKT3 Q9Y243 15/20 0.36
PIK3CA P42336 1/20 0.33
PRKG1 Q13976 1/20 0.33
SLC6A9 P48067 3/20 0.33
KIT P10721 2/20 0.33

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
SCHEMBL2557651 1.00 AKT1 (0.36) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL12813058 0.90 AKT1 (0.38) AKT1AKT2AKT3
SCHEMBL2554086 0.90 AKT1 (0.38) AKT1AKT2AKT3
SCHEMBL2552239 0.86 AKT2 (0.41) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL15973218 0.82 AKT1 (0.36) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL17022987 0.78 AKT1 (0.43) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL2557757 0.75 AKT1 (0.51) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL191678 0.75 AKT1 (0.50) AKT1AKT2AKT3
SCHEMBL675548 0.75 AKT1 (0.50) AKT1AKT2AKT3
SCHEMBL17022986 0.75 AKT1 (0.50) AKT1AKT2AKT3

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