SCHEMBL4584895

SCHEMBL4584895

NCC(NC(=O)c1cc(-c2c[nH]c3ncccc23)cs1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 13/20 1.00
AKT2 P31751 2/20 0.54
AKT3 Q9Y243 2/20 0.54
MMP3 P08254 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP12 P39900 1/20 0.51
MMP13 P45452 1/20 0.51
DYRK1A Q13627 4/20 0.47
GSK3B P49841 3/20 0.47
CDK9 P50750 2/20 0.47
CCNT1 O60563 1/20 0.47
RPS6KA5 O75582 2/20 0.46
NEK4 P51957 2/20 0.46
PRKCD Q05655 2/20 0.46
PRKG2 Q13237 2/20 0.46
ROCK1 Q13464 2/20 0.46
PRKG1 Q13976 2/20 0.46
PKN2 Q16513 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46

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
SCHEMBL4583238 0.86 AKT1 (1.00) AKT1AKT2AKT3MMP3MMP9
SCHEMBL8241403 0.85 AKT1 (0.74) AKT1AKT2AKT3GSK3BROCK1
SCHEMBL4583154 0.84 AKT1 (0.72) AKT1AKT2AKT3DYRK1AGSK3B
SCHEMBL4583609 0.82 AKT1 (1.00) AKT1AKT2AKT3DYRK1AGSK3B
SCHEMBL4583466 0.81 AKT1 (0.77) AKT1AKT2AKT3
SCHEMBL4584796 0.79 AKT1 (0.86) AKT1AKT2AKT3MMP3MMP9
SCHEMBL4382843 0.79 AKT1 (0.64) AKT1DYRK1AGSK3BCDK9ROCK1
SCHEMBL8240376 0.79 AKT1 (0.65) AKT1AKT2AKT3DYRK1AGSK3B
SCHEMBL4582789 0.78 AKT1 (0.64) AKT1DYRK1AGSK3BCDK9CCNT1
SCHEMBL4583325 0.78 AKT1 (0.83) AKT1AKT2AKT3MMP3MMP9

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 claimed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO claimed