SCHEMBL4583056

SCHEMBL4583056

NCC(NC(=O)c1ccc(-c2c[nH]c3ncccc23)s1)c1ccc(F)cc1

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 10/20 0.84
PDPK1 O15530 5/20 0.51
AKT2 P31751 1/20 0.47
AKT3 Q9Y243 1/20 0.47
MAP3K5 Q99683 1/20 0.46

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
SCHEMBL4583609 0.91 AKT1 (1.00) AKT1AKT2AKT3MAP3K5
SCHEMBL4584695 0.90 AKT1 (0.80) AKT1PDPK1AKT2AKT3MAP3K5
SCHEMBL4583851 0.86 AKT1 (0.76) AKT1PDPK1AKT2AKT3MAP3K5
SCHEMBL8240049 0.86 AKT1 (0.82) AKT1AKT2AKT3
SCHEMBL4584324 0.84 AKT1 (0.85) AKT1AKT2AKT3MAP3K5
SCHEMBL29644967 0.78 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL21067542 0.78 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL4585624 0.78 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL8234014 0.77 AKT1 (0.80) AKT1AKT2AKT3
SCHEMBL4479178 0.77 AKT1 (0.64) AKT1PDPK1MAP3K5

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 4 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