SCHEMBL4456450

SCHEMBL4456450

Nc1nnc2c3cc(-c4ccccc4)c(-c4ccc([C]5CC(F)(F)C5)cc4)nc3ccn12

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.51
AKT2 P31751 15/20 0.51
KCNH2 Q12809 4/20 0.49
AKT3 Q9Y243 2/20 0.46
FECH P22830 1/20 0.46

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
SCHEMBL1674462 0.85 AKT1 (0.54) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2278490 0.81 AKT1 (0.56) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2279299 0.81 AKT1 (0.51) AKT1AKT2KCNH2AKT3FECH
SCHEMBL1674565 0.80 AKT1 (0.46) AKT1AKT2KCNH2AKT3FECH
SCHEMBL1674712 0.77 AKT1 (0.43) AKT1AKT2KCNH2AKT3FECH
SCHEMBL10226708 0.75 AKT1 (0.41) AKT1AKT2KCNH2AKT3FECH
SCHEMBL1674528 0.75 AKT1 (0.54) AKT1AKT2AKT3FECH
SCHEMBL1674513 0.73 AKT1 (0.54) AKT1AKT2AKT3FECH
SCHEMBL1561014 0.72 AKT1 (0.53) AKT1AKT2AKT3FECH
SCHEMBL1674444 0.72 AKT1 (0.51) AKT1AKT2KCNH2AKT3FECH

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-2009148916-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2009-12-10 WO disclosed