SCHEMBL5501008

SCHEMBL5501008

c1ccc(-c2cc3cnccc3nc2-c2ccc(CN3CCC(c4ncc(-c5ccccn5)s4)CC3)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 0.69
AKT2 P31751 19/20 0.69
KCNH2 Q12809 2/20 0.49
AKT3 Q9Y243 1/20 0.48

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
SCHEMBL5498279 0.84 AKT1 (0.69) AKT1AKT2KCNH2AKT3
SCHEMBL1501571 0.84 KCNH2 (0.71) AKT1AKT2KCNH2
SCHEMBL5499246 0.82 AKT1 (0.75) AKT1AKT2KCNH2AKT3
SCHEMBL5498925 0.80 AKT1 (0.70) AKT1AKT2KCNH2AKT3
SCHEMBL5501239 0.79 AKT1 (0.68) AKT1AKT2KCNH2AKT3
SCHEMBL5497263 0.76 AKT1 (0.75) AKT1AKT2KCNH2AKT3
SCHEMBL5493914 0.74 AKT1 (0.72) AKT1AKT2KCNH2AKT3
SCHEMBL5501005 0.73 AKT1 (0.57) AKT1AKT2KCNH2AKT3
SCHEMBL2281520 0.71 AKT1 (0.61) AKT1AKT2KCNH2
SCHEMBL2356455 0.71 AKT1 (0.62) AKT1AKT2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1827436-A2 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2007-09-05 EP claimed
WO-2006065601-A2 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2006-06-22 WO claimed