SCHEMBL4584698

SCHEMBL4584698

[CH2]C(Cc1ccccc1)NC(=O)c1ccc(-c2ccnc3[nH]cc(-c4ccccc4)c23)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 10/20 0.51
HPGDS O60760 4/20 0.41
DYRK1A Q13627 2/20 0.40
DYRK1B Q9Y463 1/20 0.40
AKT2 P31751 3/20 0.39
AKT3 Q9Y243 3/20 0.39
CDC7 O00311 1/20 0.38
CHEK1 O14757 1/20 0.38
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
PDPK1 O15530 1/20 0.38
DYRK3 O43781 1/20 0.38
JAK2 O60674 1/20 0.38
ROCK2 O75116 1/20 0.38
RPS6KA5 O75582 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
NTRK1 P04629 1/20 0.38
PRKCG P05129 1/20 0.38
INSR P06213 1/20 0.38

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 0.88 AKT1 (0.52) AKT1HPGDSDYRK1ADYRK1BAKT2
SCHEMBL8240130 0.80 AKT1 (0.43) AKT1DYRK1ADYRK1BAKT2AKT3
SCHEMBL4583196 0.78 AKT1 (0.53) AKT1DYRK1ADYRK1BAKT2AKT3
SCHEMBL4583583 0.77 AKT1 (0.52) AKT1DYRK1ADYRK1BAKT2AKT3
SCHEMBL4592997 0.74 AKT1 (0.43) AKT1HPGDSDYRK1ADYRK1BAKT2
SCHEMBL4583406 0.72 AKT1 (0.67) AKT1DYRK1ADYRK1BAKT2AKT3
SCHEMBL8239982 0.71 AKT1 (0.46) AKT1DYRK1ADYRK1BAKT2AKT3
SCHEMBL4584417 0.70 AKT1 (0.73) AKT1AKT2AKT3MAPKAPK2GSK3B
SCHEMBL8233639 0.70 AKT1 (0.73) AKT1AKT2AKT3MAPKAPK2GSK3B
SCHEMBL4582555 0.69 AKT1 (0.71) AKT1AKT2AKT3

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