SCHEMBL4582993

SCHEMBL4582993

COc1ccc(C[C@@H](CN)NC(=O)c2cc(Br)c(-c3ccnc4[nH]ccc34)s2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 1.00
AKT2 P31751 13/20 1.00
AKT3 Q9Y243 12/20 1.00
EGFR P00533 1/20 0.72
PIM1 P11309 1/20 0.72
PRKCA P17252 1/20 0.72
SYK P43405 1/20 0.72
MAPKAPK2 P49137 1/20 0.72
GSK3B P49841 1/20 0.72
ROCK1 Q13464 1/20 0.72
MAPK14 Q16539 1/20 0.72

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
SCHEMBL4582068 1.00 AKT1 (1.00) AKT1AKT2AKT3EGFRPIM1
SCHEMBL4583526 0.89 AKT1 (1.00) AKT1AKT2AKT3EGFRPIM1
SCHEMBL4583338 0.89 AKT1 (1.00) AKT1AKT2AKT3EGFRPIM1
SCHEMBL4584538 0.89 AKT1 (1.00) AKT1AKT2AKT3EGFRPIM1
SCHEMBL8240592 0.89 AKT1 (1.00) AKT1AKT2AKT3EGFRPIM1
SCHEMBL4581896 0.87 AKT1 (1.00) AKT1AKT2AKT3EGFRPIM1
SCHEMBL4602783 0.87 AKT1 (0.79) AKT1AKT2AKT3
SCHEMBL4600557 0.86 AKT1 (0.87) AKT1AKT2AKT3EGFRPIM1
SCHEMBL4583459 0.85 AKT1 (0.73) AKT1AKT2AKT3EGFRPIM1
SCHEMBL4582996 0.85 AKT1 (0.73) 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 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 claimed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO claimed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed