SCHEMBL8239803

SCHEMBL8239803

NCC(NC(=O)c1coc(-c2ccnc3[nH]ccc23)c1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 16/20 0.65
AKT2 P31751 1/20 0.63
AKT3 Q9Y243 1/20 0.63

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
SCHEMBL8240376 0.86 AKT1 (0.65) AKT1AKT2AKT3
SCHEMBL8239758 0.85 AKT1 (0.64) AKT1AKT2AKT3
SCHEMBL8240352 0.83 AKT1 (0.66) AKT1AKT2AKT3
SCHEMBL4583102 0.82 AKT1 (0.72) AKT1AKT2AKT3
SCHEMBL4583238 0.79 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL8234030 0.79 AKT1 (0.68) AKT1AKT2AKT3
SCHEMBL29644967 0.78 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL21067542 0.78 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL4585624 0.78 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL4120383 0.78 IKBKB (0.51)

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-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed