SCHEMBL8223569

SCHEMBL8223569

CNC1=C(C(=N)N2CCN(C(=O)[C@@H](CN3CCC3)c3ccc(Cl)cc3)CC2)[C@H](C)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 18/20 0.45
AKT1 P31749 17/20 0.45
AKT2 P31751 17/20 0.45
PIK3CA P42336 1/20 0.39
PRKG1 Q13976 1/20 0.39
NTSR1 P30989 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL14304466 1.00 AKT3 (0.45) AKT3AKT1AKT2PIK3CAPRKG1
SCHEMBL8226862 0.98 AKT3 (0.45) AKT3AKT1AKT2PIK3CAPRKG1
SCHEMBL12323842 0.93 AKT1 (0.47) AKT3AKT1AKT2PIK3CAPRKG1
SCHEMBL8223663 0.93 AKT1 (0.44) AKT3AKT1AKT2PIK3CAPRKG1
SCHEMBL14302963 0.93 AKT3 (0.44) AKT3AKT1AKT2PIK3CAPRKG1
SCHEMBL8223666 0.92 AKT1 (0.47) AKT3AKT1AKT2PIK3CAPRKG1
SCHEMBL8224201 0.91 AKT1 (0.44) AKT3AKT1AKT2PIK3CAPRKG1
SCHEMBL8226097 0.84 AKT3 (0.55) AKT3AKT1AKT2PIK3CAPRKG1
SCHEMBL14304014 0.84 AKT3 (0.54) AKT3AKT1AKT2PIK3CAPRKG1
SCHEMBL8226943 0.84 AKT3 (0.46) AKT3AKT1AKT2PIK3CAPRKG1

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-2008006040-A1 HYDROXYLATED AND METHOXYLATED CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-01-10 WO disclosed