SCHEMBL4583357

SCHEMBL4583357

NCCC(NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 1.00
AKT2 P31751 6/20 0.86
AKT3 Q9Y243 5/20 0.86

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
SCHEMBL4583015 0.95 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL4599906 0.93 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL8240516 0.93 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL4582969 0.93 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL4582799 0.89 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL8240134 0.84 AKT1 (0.78) AKT1AKT2AKT3
SCHEMBL8242424 0.84 AKT1 (0.84) AKT1AKT2AKT3
SCHEMBL8240728 0.84 AKT1 (0.83) AKT1AKT2AKT3
SCHEMBL8239947 0.83 AKT1 (0.82) AKT1AKT2AKT3
SCHEMBL4584383 0.83 AKT1 (0.85) 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