SCHEMBL4583196

SCHEMBL4583196

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 16/20 0.53
AKT2 P31751 11/20 0.53
AKT3 Q9Y243 10/20 0.53
DYRK1A Q13627 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
EGFR P00533 1/20 0.44
PIM1 P11309 1/20 0.44
PRKCA P17252 1/20 0.44
SYK P43405 1/20 0.44
MAPKAPK2 P49137 1/20 0.44
GSK3B P49841 1/20 0.44
ROCK1 Q13464 1/20 0.44
MAPK14 Q16539 1/20 0.44

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
SCHEMBL8243230 0.90 AKT1 (0.52) AKT1AKT2AKT3DYRK1ADYRK1B
SCHEMBL4583583 0.90 AKT1 (0.52) AKT1AKT2AKT3DYRK1ADYRK1B
SCHEMBL8239982 0.83 AKT1 (0.46) AKT1AKT2AKT3DYRK1ADYRK1B
SCHEMBL8233639 0.83 AKT1 (0.73) AKT1AKT2AKT3EGFRPIM1
SCHEMBL4584417 0.83 AKT1 (0.73) AKT1AKT2AKT3EGFRPIM1
SCHEMBL4592997 0.83 AKT1 (0.43) AKT1AKT2AKT3DYRK1ADYRK1B
SCHEMBL4584698 0.78 AKT1 (0.51) AKT1AKT2AKT3DYRK1ADYRK1B
SCHEMBL8240163 0.76 AKT1 (0.71) AKT1AKT2AKT3EGFRPIM1
SCHEMBL4583406 0.76 AKT1 (0.67) AKT1AKT2AKT3DYRK1ADYRK1B
SCHEMBL8240130 0.75 AKT1 (0.43) AKT1AKT2AKT3DYRK1ADYRK1B

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