SCHEMBL4583609

SCHEMBL4583609

NCC(NC(=O)c1ccc(-c2c[nH]c3ncccc23)s1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 14/20 1.00
AKT3 Q9Y243 2/20 0.55
AKT2 P31751 1/20 0.55
MAP3K5 Q99683 1/20 0.48
CHEK1 O14757 1/20 0.48
ROCK2 O75116 1/20 0.48
RPS6KA5 O75582 1/20 0.48
MAP4K4 O95819 1/20 0.48
CHEK2 O96017 1/20 0.48
PRKCG P05129 1/20 0.48
CDK1 P06493 1/20 0.48
PIM1 P11309 1/20 0.48
FGFR1 P11362 1/20 0.48
PRKACA P17612 1/20 0.48
RPS6KB1 P23443 1/20 0.48
CDK2 P24941 1/20 0.48
MARK3 P27448 1/20 0.48
MAPK1 P28482 1/20 0.48
AXL P30530 1/20 0.48
FLT4 P35916 1/20 0.48

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
SCHEMBL4584324 0.92 AKT1 (0.85) AKT1AKT3AKT2MAP3K5CHEK1
SCHEMBL4583056 0.91 AKT1 (0.84) AKT1AKT3AKT2MAP3K5
SCHEMBL4584695 0.89 AKT1 (0.80) AKT1AKT3AKT2MAP3K5ROCK2
SCHEMBL4583851 0.87 AKT1 (0.76) AKT1AKT3AKT2MAP3K5
SCHEMBL21067542 0.86 AKT1 (1.00) AKT1AKT3AKT2
SCHEMBL29644967 0.86 AKT1 (1.00) AKT1AKT3AKT2
SCHEMBL4585624 0.86 AKT1 (1.00) AKT1AKT3AKT2
SCHEMBL4583154 0.83 AKT1 (0.72) AKT1AKT3AKT2CHEK1ROCK2
SCHEMBL4583466 0.83 AKT1 (0.77) AKT1AKT3AKT2
SCHEMBL4584895 0.82 AKT1 (1.00) AKT1AKT3AKT2ROCK2RPS6KA5

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 5 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
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