SCHEMBL8225912

SCHEMBL8225912

CNC1=C(C(=N)N2CCN(C(=O)[C@H](CNC3CCOCC3)c3ccc(C(F)(F)F)cc3)CC2)[C@H](C)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 9/20 0.46
AKT2 P31751 8/20 0.46
AKT1 P31749 7/20 0.46
TEAD1 P28347 4/20 0.36
CTSS P25774 3/20 0.35
EPHX2 P34913 1/20 0.35
CCR2 P41597 2/20 0.34
CCR5 P51681 1/20 0.34
TACR1 P25103 1/20 0.34

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
SCHEMBL8224124 0.85 AKT1 (0.59) AKT3AKT2AKT1
SCHEMBL8226975 0.84 AKT1 (0.46) AKT3AKT2AKT1TEAD1EPHX2
SCHEMBL8226097 0.81 AKT3 (0.55) AKT3AKT2AKT1
SCHEMBL12323938 0.81 AKT3 (0.39) AKT3AKT2AKT1
SCHEMBL14302958 0.80 AKT3 (0.46) AKT3AKT2AKT1
SCHEMBL14310839 0.77 AKT3 (0.55) AKT3AKT2AKT1
SCHEMBL8224129 0.77 AKT3 (0.35) AKT3AKT2AKT1
SCHEMBL8223627 0.76 AKT1 (0.54) AKT3AKT2AKT1EPHX2
SCHEMBL8224355 0.76 AKT3 (0.40) AKT3AKT2AKT1
SCHEMBL8226943 0.76 AKT3 (0.46) AKT3AKT2AKT1

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