SCHEMBL4544057

SCHEMBL4544057

Cn1nncc1-c1csc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(NC(=O)O)C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 7/20 0.39
AKT1 P31749 3/20 0.36
MAPK1 P28482 8/20 0.36
ULK2 Q8IYT8 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
STK17A Q9UEE5 1/20 0.35
ALDH1A1 P00352 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33

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
SCHEMBL4375486 0.92 MAPK1 (0.36) AKT1MAPK1ALDH1A1
SCHEMBL4543472 0.92 MAPK1 (0.37) ULK1AKT1MAPK1
SCHEMBL4544087 0.91 AKT1 (0.39) ULK1AKT1MAPK1
SCHEMBL14114961 0.82 AKT1 (0.42) ULK1AKT1MAPK1ULK2MKNK2
SCHEMBL1529698 0.82 AKT1 (0.42) ULK1AKT1MAPK1ULK2MKNK2
SCHEMBL1530043 0.80 ULK1 (0.38) ULK1AKT1MAPK1ULK2MKNK2
SCHEMBL1530041 0.80 ULK1 (0.38) ULK1AKT1MAPK1ULK2MKNK2
SCHEMBL4376938 0.80 ALDH1A1 (0.44) ULK1AKT1MAPK1ALDH1A1
SCHEMBL4541583 0.76 ITGB1 (0.38) ULK1AKT1MAPK1ULK2ITGB1
SCHEMBL4540065 0.76 AKT1 (0.45) AKT1MAPK1ITGB1ITGA4ITGB7

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-2117523-A1 INHIBITORS OF AKT ACTIVITY SmithKline Beecham Corporation (US) 2009-11-18 EP disclosed
WO-2008098104-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-08-14 WO disclosed