SCHEMBL12323948

SCHEMBL12323948

C[C@@H]1CCc2ncnc(N3CCN(C(=O)C(N)Cc4ccccn4)CC3)c21

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 0.54
AKT2 P31751 8/20 0.54
AKT3 Q9Y243 8/20 0.54
DPP4 P27487 1/20 0.46
AKT1S1 Q96B36 1/20 0.45

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
SCHEMBL2265472 1.00 AKT1 (0.54) AKT1AKT2AKT3DPP4AKT1S1
SCHEMBL2265484 1.00 AKT1 (0.54) AKT1AKT2AKT3DPP4AKT1S1
SCHEMBL2259640 0.88 DPP4 (0.43) AKT1AKT2AKT3DPP4
SCHEMBL12324610 0.88 DPP4 (0.43) AKT1AKT2AKT3DPP4
SCHEMBL2259646 0.88 DPP4 (0.43) AKT1AKT2AKT3DPP4
SCHEMBL2263456 0.85 AKT1 (0.54) AKT1AKT2AKT3
SCHEMBL2263447 0.85 AKT1 (0.54) AKT1AKT2AKT3
SCHEMBL2266441 0.84 AKT1 (0.53) AKT1AKT2AKT3AKT1S1
SCHEMBL2266434 0.84 AKT1 (0.53) AKT1AKT2AKT3AKT1S1
SCHEMBL12324607 0.84 AKT1 (0.61) AKT1AKT2AKT3AKT1S1

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