SCHEMBL12323932

SCHEMBL12323932

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

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 19/20 0.49
AKT1 P31749 17/20 0.49
AKT2 P31751 17/20 0.49
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
PIK3CA P42336 1/20 0.42
PRKG1 Q13976 1/20 0.42

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
SCHEMBL8218164 0.89 AKT1 (0.44) AKT3AKT1AKT2CYP1A2CYP3A4
SCHEMBL12323918 0.85 AKT3 (0.45) AKT3AKT1AKT2CYP1A2CYP3A4
SCHEMBL8225794 0.82 AKT3 (0.43) AKT3AKT1AKT2CYP1A2CYP3A4
SCHEMBL8226097 0.79 AKT3 (0.55) AKT3AKT1AKT2PIK3CAPRKG1
SCHEMBL8224462 0.79 AKT3 (0.40) AKT3AKT1AKT2CYP1A2CYP3A4
SCHEMBL8224124 0.79 AKT1 (0.59) AKT3AKT1AKT2
SCHEMBL8226943 0.78 AKT3 (0.46) AKT3AKT1AKT2PIK3CAPRKG1
SCHEMBL14304014 0.78 AKT3 (0.54) AKT3AKT1AKT2PIK3CAPRKG1
SCHEMBL12324605 0.78 AKT3 (0.46) AKT3AKT1AKT2CYP1A2CYP3A4
SCHEMBL8226862 0.77 AKT3 (0.45) AKT3AKT1AKT2CYP1A2CYP3A4

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
EP-2049500-B1 CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2011-09-07 EP disclosed