SCHEMBL4583406

SCHEMBL4583406

O=C(N[C@H](CO)Cc1ccccc1)c1ccc(-c2ccnc3[nH]ccc23)s1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 15/20 0.67
AKT2 P31751 8/20 0.61
AKT3 Q9Y243 7/20 0.61
DYRK1A Q13627 1/20 0.58
DYRK1B Q9Y463 1/20 0.58
NEK1 Q96PY6 2/20 0.55
CIT O14578 2/20 0.54
EGFR P00533 1/20 0.51
PIM1 P11309 1/20 0.51
PRKCA P17252 1/20 0.51
SYK P43405 1/20 0.51
MAPKAPK2 P49137 1/20 0.51
GSK3B P49841 1/20 0.51
ROCK1 Q13464 1/20 0.51
MAPK14 Q16539 1/20 0.51

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
SCHEMBL4584417 0.92 AKT1 (0.73) AKT1AKT2AKT3EGFRPIM1
SCHEMBL8233639 0.92 AKT1 (0.73) AKT1AKT2AKT3EGFRPIM1
SCHEMBL10124870 0.86 AKT1 (0.63) AKT1AKT2AKT3CIT
SCHEMBL8240163 0.85 AKT1 (0.71) AKT1AKT2AKT3EGFRPIM1
SCHEMBL4582545 0.84 AKT1 (0.64) AKT1AKT2AKT3CIT
SCHEMBL4582549 0.84 AKT1 (0.64) AKT1AKT2AKT3CIT
SCHEMBL4592865 0.83 AKT1 (0.87) AKT1AKT2AKT3EGFRPIM1
SCHEMBL4581891 0.83 AKT1 (0.72) AKT1AKT2AKT3EGFRPIM1
SCHEMBL4584316 0.83 AKT1 (0.72) AKT1AKT2AKT3EGFRPIM1
SCHEMBL8243104 0.83 AKT1 (0.62) AKT1AKT2AKT3NEK1EGFR

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