SCHEMBL4224643

SCHEMBL4224643

CC(C)(C)C1(c2ccc(-c3nc4ccc(NN)nc4cc3-c3ccccc3)cc2)CCC1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.47
AKT2 P31751 10/20 0.43
AKT3 Q9Y243 2/20 0.38
FECH P22830 1/20 0.38

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
SCHEMBL3783328 0.84 AKT1 (0.47) AKT1AKT2AKT3FECH
SCHEMBL1538608 0.81 AKT1 (0.42) AKT1AKT2AKT3FECH
SCHEMBL1607881 0.80 AKT1 (0.46) AKT1AKT2AKT3FECH
SCHEMBL3836976 0.80 AKT1 (0.46) AKT1AKT2AKT3FECH
SCHEMBL12710396 0.80 AKT1 (0.49) AKT1AKT2
SCHEMBL12710381 0.79 AKT1 (0.59) AKT1AKT2
SCHEMBL1539149 0.79 AKT1 (0.44) AKT1AKT2AKT3FECH
SCHEMBL4223010 0.78 AKT1 (0.41) AKT1AKT2
SCHEMBL3709058 0.76 AKT1 (0.53) AKT1AKT2AKT3FECH
SCHEMBL4224640 0.76 AKT1 (0.35) AKT1AKT2

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-2009148887-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2009-12-10 WO disclosed