SCHEMBL4583459

SCHEMBL4583459

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

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 18/20 0.73
AKT2 P31751 12/20 0.73
AKT3 Q9Y243 11/20 0.73
CIT O14578 1/20 0.53
ROCK1 Q13464 2/20 0.51
EGFR P00533 1/20 0.51
PIM1 P11309 1/20 0.51
PRKCA P17252 1/20 0.51
SYK P43405 1/20 0.51
MAPKAPK2 P49137 1/20 0.51
GSK3B P49841 1/20 0.51
MAPK14 Q16539 1/20 0.51
ROCK2 O75116 1/20 0.48

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
SCHEMBL4582996 1.00 AKT1 (0.73) AKT1AKT2AKT3CITROCK1
SCHEMBL4584316 0.88 AKT1 (0.72) AKT1AKT2AKT3ROCK1EGFR
SCHEMBL4581891 0.88 AKT1 (0.72) AKT1AKT2AKT3ROCK1EGFR
SCHEMBL4584417 0.88 AKT1 (0.73) AKT1AKT2AKT3ROCK1EGFR
SCHEMBL8233639 0.88 AKT1 (0.73) AKT1AKT2AKT3ROCK1EGFR
SCHEMBL8240163 0.88 AKT1 (0.71) AKT1AKT2AKT3ROCK1EGFR
SCHEMBL4593205 0.86 AKT1 (0.73) AKT1AKT2AKT3ROCK1EGFR
SCHEMBL4582997 0.86 AKT1 (0.78) AKT1AKT2AKT3
SCHEMBL4582993 0.85 AKT1 (1.00) AKT1AKT2AKT3ROCK1EGFR
SCHEMBL4582068 0.85 AKT1 (1.00) AKT1AKT2AKT3ROCK1EGFR

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