SCHEMBL8226975

SCHEMBL8226975

CNC1=C(C(=N)N2CCN(C(=O)[C@H](CNCC3CC3)c3ccc(C(F)(F)F)cc3)CC2)[C@H](C)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 12/20 0.46
AKT2 P31751 12/20 0.46
AKT3 Q9Y243 12/20 0.46
TEAD1 P28347 3/20 0.38
EPHX2 P34913 3/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
DPP4 P27487 1/20 0.33
DPP7 Q9UHL4 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
SCHEMBL14304014 0.89 AKT3 (0.54) AKT1AKT2AKT3
SCHEMBL8218164 0.85 AKT1 (0.44) AKT1AKT2AKT3
SCHEMBL8225912 0.84 AKT3 (0.46) AKT1AKT2AKT3TEAD1EPHX2
SCHEMBL14310839 0.83 AKT3 (0.55) AKT1AKT2AKT3
SCHEMBL8224355 0.78 AKT3 (0.40) AKT1AKT2AKT3DPP4
SCHEMBL8226943 0.78 AKT3 (0.46) AKT1AKT2AKT3
SCHEMBL12324605 0.78 AKT3 (0.46) AKT1AKT2AKT3
SCHEMBL13958673 0.78 AKT1 (0.43) AKT1AKT2AKT3TEAD1
SCHEMBL8226097 0.75 AKT3 (0.55) AKT1AKT2AKT3
SCHEMBL8220495 0.74 AKT1 (0.66) AKT1AKT2AKT3EPHX2

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