SCHEMBL4582997

SCHEMBL4582997

COc1ccc(C(CN)NC(=O)c2ccc(-c3ccnc4[nH]ccc34)s2)cc1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 16/20 0.78
AKT2 P31751 2/20 0.56
AKT3 Q9Y243 2/20 0.56
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 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
SCHEMBL4583163 0.90 AKT1 (0.77) AKT1AKT2AKT3
SCHEMBL8240049 0.88 AKT1 (0.82) AKT1AKT2AKT3
SCHEMBL21067542 0.88 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL4585624 0.88 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL29644967 0.88 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL4582996 0.86 AKT1 (0.73) AKT1AKT2AKT3
SCHEMBL4583459 0.86 AKT1 (0.73) AKT1AKT2AKT3
SCHEMBL4583417 0.85 AKT1 (0.74) AKT1AKT2AKT3
SCHEMBL4602783 0.84 AKT1 (0.79) AKT1AKT2AKT3
SCHEMBL8234014 0.81 AKT1 (0.80) 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