SCHEMBL4583678

SCHEMBL4583678

N[C@H](CNC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1)Cc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.78
AKT2 P31751 11/20 0.74
AKT3 Q9Y243 10/20 0.74
EGFR P00533 1/20 0.62
PIM1 P11309 1/20 0.62
PRKCA P17252 1/20 0.62
SYK P43405 1/20 0.62
MAPKAPK2 P49137 1/20 0.62
GSK3B P49841 1/20 0.62
ROCK1 Q13464 1/20 0.62
MAPK14 Q16539 1/20 0.62

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
SCHEMBL4583674 1.00 AKT1 (0.78) AKT1AKT2AKT3EGFRPIM1
SCHEMBL8244400 0.91 AKT1 (0.76) AKT1AKT2AKT3EGFRPIM1
SCHEMBL4583457 0.88 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL4592865 0.85 AKT1 (0.87) AKT1AKT2AKT3EGFRPIM1
SCHEMBL8240592 0.85 AKT1 (1.00) AKT1AKT2AKT3EGFRPIM1
SCHEMBL4584538 0.85 AKT1 (1.00) AKT1AKT2AKT3EGFRPIM1
SCHEMBL4583681 0.84 AKT1 (1.00) AKT1AKT2AKT3EGFRPIM1
SCHEMBL4582545 0.84 AKT1 (0.64) AKT1AKT2AKT3
SCHEMBL4582549 0.84 AKT1 (0.64) AKT1AKT2AKT3
SCHEMBL4583745 0.83 AKT1 (1.00) AKT1AKT2AKT3EGFRPIM1

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