SCHEMBL4584796

SCHEMBL4584796

NCCC(NC(=O)c1cc(-c2ccnc3[nH]ccc23)cs1)c1ccccc1

nearest known ligand 0.86

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 0.86
AKT2 P31751 4/20 0.59
AKT3 Q9Y243 4/20 0.59
MMP3 P08254 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP12 P39900 1/20 0.49
MMP13 P45452 1/20 0.49

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
SCHEMBL4583325 0.95 AKT1 (0.83) AKT1AKT2AKT3MMP3MMP9
SCHEMBL4583238 0.93 AKT1 (1.00) AKT1AKT2AKT3MMP3MMP9
SCHEMBL4584383 0.83 AKT1 (0.85) AKT1AKT2AKT3
SCHEMBL4583357 0.82 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL4582610 0.81 AKT1 (0.74) AKT1AKT2AKT3
SCHEMBL4584895 0.79 AKT1 (1.00) AKT1AKT2AKT3MMP3MMP9
SCHEMBL8234017 0.79 AKT1 (0.61) AKT1AKT2AKT3
SCHEMBL8242482 0.78 AKT1 (0.82) AKT1AKT2AKT3
SCHEMBL4583015 0.77 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL4583102 0.77 AKT1 (0.72) AKT1AKT2AKT3

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