SCHEMBL4592997

SCHEMBL4592997

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

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 10/20 0.43
AKT3 Q9Y243 4/20 0.36
AKT2 P31751 3/20 0.36
HPGDS O60760 5/20 0.36
DYRK1A Q13627 1/20 0.35
DYRK1B Q9Y463 1/20 0.35

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 0.83 AKT1 (0.53) AKT1AKT3AKT2DYRK1ADYRK1B
SCHEMBL4537535 0.76 HPGDS (0.41) AKT3HPGDSDYRK1ADYRK1B
SCHEMBL4543913 0.74 HPGDS (0.36) AKT1AKT3HPGDSDYRK1ADYRK1B
SCHEMBL4382189 0.74 ACKR3 (0.43)
SCHEMBL4375386 0.74 ACKR3 (0.43)
SCHEMBL4584698 0.74 AKT1 (0.51) AKT1AKT3AKT2HPGDSDYRK1A
SCHEMBL4544034 0.73 HPGDS (0.38) HPGDSDYRK1ADYRK1B
SCHEMBL8243230 0.73 AKT1 (0.52) AKT1AKT3AKT2HPGDSDYRK1A
SCHEMBL4583583 0.73 AKT1 (0.52) AKT1AKT3AKT2DYRK1ADYRK1B
SCHEMBL8240130 0.71 AKT1 (0.43) AKT1AKT3AKT2DYRK1ADYRK1B

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 2 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