SCHEMBL4583583

SCHEMBL4583583

NCC(Cc1ccccc1)NC(=O)c1ccc(-c2ccnc3[nH]cc(Cl)c23)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 15/20 0.52
AKT3 Q9Y243 12/20 0.52
AKT2 P31751 11/20 0.52
PRKCA P17252 2/20 0.44
MET P08581 1/20 0.44
KIT P10721 1/20 0.44
PRKACA P17612 1/20 0.44
PRKACG P22612 1/20 0.44
PRKACB P22694 1/20 0.44
MAPK3 P27361 1/20 0.44
CAMK2A Q9UQM7 1/20 0.44
DYRK1A Q13627 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
EGFR P00533 1/20 0.43
PIM1 P11309 1/20 0.43
SYK P43405 1/20 0.43
MAPKAPK2 P49137 1/20 0.43
GSK3B P49841 1/20 0.43
ROCK1 Q13464 1/20 0.43
MAPK14 Q16539 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
SCHEMBL4583196 0.90 AKT1 (0.53) AKT1AKT3AKT2PRKCADYRK1A
SCHEMBL8243230 0.89 AKT1 (0.52) AKT1AKT3AKT2PRKCADYRK1A
SCHEMBL8239982 0.83 AKT1 (0.46) AKT1AKT3AKT2PRKCADYRK1A
SCHEMBL4584417 0.82 AKT1 (0.73) AKT1AKT3AKT2PRKCAEGFR
SCHEMBL8233639 0.82 AKT1 (0.73) AKT1AKT3AKT2PRKCAEGFR
SCHEMBL4584698 0.77 AKT1 (0.51) AKT1AKT3AKT2PRKACADYRK1A
SCHEMBL4583406 0.75 AKT1 (0.67) AKT1AKT3AKT2PRKCADYRK1A
SCHEMBL8240163 0.75 AKT1 (0.71) AKT1AKT3AKT2PRKCAEGFR
SCHEMBL8240130 0.75 AKT1 (0.43) AKT1AKT3AKT2DYRK1ADYRK1B
SCHEMBL4593731 0.74 AKT1 (0.81) AKT1AKT3AKT2PRKCAEGFR

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