SCHEMBL4584377

SCHEMBL4584377

NCCC(C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)s1)c1ccccc1

nearest known ligand 0.86

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 18/20 0.86
AKT2 P31751 1/20 0.47
AKT3 Q9Y243 1/20 0.47
CIT O14578 1/20 0.44
ROCK2 O75116 1/20 0.43

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
SCHEMBL4582878 0.92 AKT1 (1.00) AKT1AKT2AKT3CIT
SCHEMBL8244311 0.87 AKT1 (0.65) AKT1AKT3ROCK2
SCHEMBL8234017 0.83 AKT1 (0.61) AKT1AKT2AKT3CITROCK2
SCHEMBL8233640 0.81 AKT1 (0.73) AKT1AKT2AKT3CIT
SCHEMBL4592533 0.81 AKT1 (0.73) AKT1AKT2AKT3
SCHEMBL4583126 0.81 AKT1 (0.68) AKT1AKT2AKT3CIT
SCHEMBL8240562 0.81 AKT1 (0.70) AKT1AKT2AKT3CIT
SCHEMBL4585345 0.81 AKT1 (0.70) AKT1AKT2AKT3CIT
SCHEMBL8242629 0.81 AKT1 (0.70) AKT1AKT2AKT3CIT
SCHEMBL8233616 0.79 AKT1 (0.76) AKT1AKT3ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968568-A2 INHIBITORS OF Akt ACTIVITY SmithKline Beecham Corporation (US) 2008-09-17 EP claimed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO claimed
EP-1968568-A2 INHIBITORS OF Akt ACTIVITY SmithKline Beecham Corporation (US) 2008-09-17 EP disclosed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed