SCHEMBL13959611

SCHEMBL13959611

CNC1=C(C(=N)N2CCN(C(=O)[C@@H](c3ccc(Cl)cc3)[C@@H]3CCCN3CCCO)CC2)[C@H](C)CC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 13/20 0.38
AKT2 P31751 13/20 0.38
AKT3 Q9Y243 13/20 0.38
PIK3CA P42336 1/20 0.33
PRKG1 Q13976 1/20 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
SCHEMBL13959602 0.89 AKT1 (0.39) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL13959522 0.84 AKT3 (0.40) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL14304466 0.78 AKT3 (0.45) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL8223569 0.78 AKT3 (0.45) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL8226862 0.78 AKT3 (0.45) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL8223663 0.77 AKT1 (0.44) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL15990052 0.76 AKT3 (0.64) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL8226097 0.76 AKT3 (0.55) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL8226943 0.76 AKT3 (0.46) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL14304014 0.76 AKT3 (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009006567-A2 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-01-08 WO disclosed