SCHEMBL5333213

SCHEMBL5333213

O=C1[N]c2cc(C3CCN(Cc4ccc(-c5cc6ccccc6nc5-c5ccccc5)cc4)CC3)ccc2N1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 0.56
AKT2 P31751 15/20 0.49
KCNH2 Q12809 4/20 0.46
AKT3 Q9Y243 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
SCHEMBL5260308 1.00 AKT1 (0.56) AKT1AKT2KCNH2AKT3
SCHEMBL5255818 0.91 AKT1 (0.54) AKT1AKT2KCNH2AKT3
SCHEMBL5769643 0.90 AKT1 (0.48) AKT1AKT2KCNH2AKT3
SCHEMBL5256580 0.86 AKT1 (0.47) AKT1AKT2KCNH2AKT3
SCHEMBL5240266 0.86 AKT1 (0.49) AKT1AKT2KCNH2AKT3
SCHEMBL5259741 0.86 AKT1 (0.52) AKT1AKT2KCNH2
SCHEMBL5256101 0.85 AKT1 (0.46) AKT1AKT2KCNH2AKT3
SCHEMBL5263196 0.85 AKT1 (0.53) AKT1AKT2KCNH2AKT3
SCHEMBL5258032 0.85 AKT1 (0.53) AKT1AKT2KCNH2AKT3
SCHEMBL5262509 0.85 AKT1 (0.44) AKT1AKT2KCNH2AKT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1496896-A4 INHIBITORS OF AKT ACTIVITY MERCK & CO INC (US) 2007-10-31 EP claimed
EP-1496896-A1 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2005-01-19 EP claimed
WO-2003086394-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2003-10-23 WO claimed
EP-1496896-A4 INHIBITORS OF AKT ACTIVITY MERCK & CO INC (US) 2007-10-31 EP disclosed
EP-1496896-A1 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2005-01-19 EP disclosed
WO-2003086394-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2003-10-23 WO disclosed