SCHEMBL4584069

SCHEMBL4584069

NCC(Cc1ccccc1)NC(=O)c1csc(-c2c[nH]c3ncccc23)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 14/20 0.53
AKT2 P31751 9/20 0.52
AKT3 Q9Y243 8/20 0.52
ROCK1 Q13464 4/20 0.47
ROCK2 O75116 1/20 0.44
EGFR P00533 1/20 0.43
PIM1 P11309 1/20 0.43
PRKCA P17252 1/20 0.43
SYK P43405 1/20 0.43
MAPKAPK2 P49137 1/20 0.43
GSK3B P49841 1/20 0.43
MAPK14 Q16539 1/20 0.43
ECE1 P42892 1/20 0.43

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
SCHEMBL4584364 0.87 AKT1 (0.66) AKT1AKT2AKT3ROCK1EGFR
SCHEMBL4583154 0.85 AKT1 (0.72) AKT1AKT2AKT3ROCK1ROCK2
SCHEMBL8241403 0.84 AKT1 (0.74) AKT1AKT2AKT3ROCK1EGFR
SCHEMBL8242383 0.83 AKT1 (0.51) AKT1AKT2AKT3ROCK1ROCK2
SCHEMBL8242571 0.79 AKT1 (0.50) AKT1AKT2AKT3ROCK1ROCK2
SCHEMBL22044904 0.78 DYRK1A (0.51) AKT1ROCK1ROCK2EGFRSYK
SCHEMBL16716191 0.77 ROCK2 (0.46) AKT1AKT2AKT3ROCK1ROCK2
SCHEMBL4584368 0.75 AKT1 (0.59) AKT1AKT2AKT3ROCK1EGFR
SCHEMBL1527224 0.74 CTSV (0.45) AKT1AKT2AKT3ROCK1ROCK2
SCHEMBL4582610 0.73 AKT1 (0.74) 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