SCHEMBL4584397

SCHEMBL4584397

Cc1[nH]c2ncccc2c1-c1cc(NC(=O)C(CN)Cc2ccccc2)sc1-c1ccoc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 12/20 0.37
MAP3K5 Q99683 1/20 0.36
AKT2 P31751 3/20 0.34
AKT3 Q9Y243 3/20 0.34
CSNK1A1 P48729 1/20 0.32
CSNK1D P48730 1/20 0.32
CSNK1E P49674 1/20 0.32
ROCK1 Q13464 1/20 0.32
MAPK14 Q16539 1/20 0.32
CIT O14578 3/20 0.32
ELANE P08246 1/20 0.31
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
F3 P13726 1/20 0.31
PRSS3 P35030 1/20 0.31
XIAP P98170 1/20 0.31
BIRC2 Q13490 1/20 0.31

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
SCHEMBL4582358 0.85 MAP3K5 (0.49) AKT1MAP3K5AKT2AKT3CSNK1A1
SCHEMBL4583788 0.76 AKT1 (0.46) AKT1MAP3K5AKT2AKT3CSNK1A1
SCHEMBL4582970 0.75 MAP3K5 (0.39) AKT1MAP3K5AKT3CSNK1A1CSNK1D
SCHEMBL8239665 0.73 AKT1 (0.58) AKT1MAP3K5AKT2AKT3CSNK1D
SCHEMBL8240780 0.72 AKT1 (0.44) AKT1MAP3K5AKT2AKT3CSNK1A1
SCHEMBL4582334 0.70 AKT1 (0.51) AKT1MAP3K5AKT2AKT3CSNK1D
SCHEMBL8241935 0.68 AKT1 (0.75) AKT1AKT2AKT3ROCK1MAPK14
SCHEMBL4584368 0.68 AKT1 (0.59) AKT1MAP3K5AKT2AKT3ROCK1
SCHEMBL8234027 0.68 AKT1 (0.57) AKT1AKT3CSNK1A1CSNK1DROCK1
SCHEMBL8240317 0.67 AKT1 (0.45) AKT1MAP3K5ROCK1MAPK14

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