SCHEMBL4582831

SCHEMBL4582831

NCCOc1c(C(=O)NCc2ccccc2)sc(-c2ccnc3[nH]ccc23)c1Br

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.50
AKT2 P31751 8/20 0.50
AKT3 Q9Y243 7/20 0.50
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
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
SCHEMBL4583865 0.92 AKT1 (0.53) AKT1AKT2AKT3EGFRPIM1
SCHEMBL8240263 0.90 AKT1 (0.51) AKT1AKT2AKT3EGFRPIM1
SCHEMBL4584125 0.86 AKT1 (0.68) AKT1AKT2AKT3EGFRPIM1
SCHEMBL4582695 0.82 AKT1 (0.67) AKT1AKT2AKT3EGFRPIM1
SCHEMBL4584175 0.81 AKT1 (0.47) AKT1AKT2AKT3
SCHEMBL4583110 0.77 AKT1 (0.55) AKT1AKT2AKT3EGFRPIM1
SCHEMBL8240248 0.77 AKT1 (0.71) AKT1AKT2AKT3EGFRPIM1
SCHEMBL4583618 0.77 AKT1 (0.69) AKT1AKT2AKT3EGFRPIM1
SCHEMBL8240463 0.76 MEN1 (0.40) AKT1AKT2AKT3
SCHEMBL4582444 0.75 AKT1 (0.49) AKT1AKT2AKT3EGFRPIM1

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 3 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 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