SCHEMBL8218164

SCHEMBL8218164

CNC1=C(C(=N)N2CCN(C(=O)[C@H](CNCC3CC3)c3ccc(Cl)c(Cl)c3)CC2)[C@H](C)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 12/20 0.44
AKT3 Q9Y243 12/20 0.44
AKT2 P31751 11/20 0.44
HTR1A P08908 1/20 0.35
SLC6A3 Q01959 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PANK3 Q9H999 1/20 0.32

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
SCHEMBL14304014 0.90 AKT3 (0.54) AKT1AKT3AKT2
SCHEMBL12323932 0.89 AKT3 (0.49) AKT1AKT3AKT2CYP1A2CYP3A4
SCHEMBL8226975 0.85 AKT1 (0.46) AKT1AKT3AKT2
SCHEMBL14310839 0.79 AKT3 (0.55) AKT1AKT3AKT2CYP1A2CYP3A4
SCHEMBL12324605 0.79 AKT3 (0.46) AKT1AKT3AKT2CYP1A2CYP3A4
SCHEMBL8224124 0.78 AKT1 (0.59) AKT1AKT3AKT2
SCHEMBL8226943 0.78 AKT3 (0.46) AKT1AKT3AKT2
SCHEMBL12323943 0.77 AKT3 (0.43) AKT1AKT3AKT2
SCHEMBL8223678 0.76 AKT1 (0.40) AKT1AKT3AKT2
SCHEMBL8226097 0.76 AKT3 (0.55) AKT1AKT3AKT2

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