SCHEMBL3663311

SCHEMBL3663311

CCCCOC(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.54
AKT2 P31751 20/20 0.54
AKT3 Q9Y243 20/20 0.54
PIK3CA P42336 1/20 0.51
PRKG1 Q13976 1/20 0.51

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
SCHEMBL3128363 0.86 AKT1 (0.41) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL2367210 0.82 AKT1 (0.60) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL192135 0.81 AKT1 (0.55) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL29391120 0.81 AKT1 (0.55) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL1738506 0.81 AKT1 (0.55) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL25230276 0.80 AKT1 (0.60) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL925482 0.80 AKT1 (0.60) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL17545682 0.80 AKT1 (0.60) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL927111 0.80 AKT1 (0.60) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL3131116 0.80 AKT1 (0.62) AKT1AKT2AKT3PIK3CAPRKG1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240455-A1 HYDROXYLATED PYRIMIDYL CYCLOPENTANE AS AKT PROTEIN KINASE INHIBITOR Array Biopharma, Inc. (US) 2010-10-20 EP disclosed
WO-2009089453-A9 HYDROXYLATED PYRIMIDYL CYCLOPENTANE AS AKT PROTEIN KINASE INHIBITOR ARRAY BIOPHARMA INC. (US) 2009-11-05 WO disclosed
WO-2009089453-A1 HYDROXYLATED PYRIMIDYL CYCLOPENTANE AS AKT PROTEIN KINASE INHIBITOR ARRAY BIOPHARMA INC. (US) 2009-07-16 WO disclosed