SCHEMBL4583224

SCHEMBL4583224

NCCOc1cc(-c2ccnc3[nH]ccc23)sc1C(=O)NCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 0.50
AKT2 P31751 5/20 0.46
AKT3 Q9Y243 5/20 0.46
NEK1 Q96PY6 1/20 0.41

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
SCHEMBL4583125 0.96 AKT1 (0.49) AKT1AKT2AKT3
SCHEMBL4584175 0.91 AKT1 (0.47) AKT1AKT2AKT3
SCHEMBL4583793 0.84 AKT1 (0.65) AKT1AKT2AKT3
SCHEMBL4583865 0.81 AKT1 (0.53) AKT1AKT2AKT3
SCHEMBL8240263 0.78 AKT1 (0.51) AKT1AKT2AKT3
SCHEMBL8240619 0.75 AKT1 (0.69) AKT1AKT2AKT3
SCHEMBL4582831 0.72 AKT1 (0.50) AKT1AKT2AKT3
SCHEMBL4581720 0.72 AKT1 (0.41) AKT1NEK1
SCHEMBL4592540 0.70 AKT1 (0.67) AKT1AKT2AKT3NEK1
SCHEMBL19390620 0.69 RAB9A (0.43) NEK1

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 3 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 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