SCHEMBL4583102

SCHEMBL4583102

NCC(NC(=O)c1csc(-c2ccnc3[nH]ccc23)c1)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 0.72
AKT2 P31751 2/20 0.65
AKT3 Q9Y243 2/20 0.65
DHPS P49366 1/20 0.51
MAPK13 O15264 1/20 0.47
DYRK3 O43781 1/20 0.47
ROCK2 O75116 1/20 0.47
RPS6KA5 O75582 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
CHEK2 O96017 1/20 0.47
PRKCG P05129 1/20 0.47
CDK1 P06493 1/20 0.47
PIM1 P11309 1/20 0.47
RPS6KB1 P23443 1/20 0.47
CDK2 P24941 1/20 0.47
MARK3 P27448 1/20 0.47
MAPK1 P28482 1/20 0.47
CSNK1A1 P48729 1/20 0.47
CSNK1D P48730 1/20 0.47

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
SCHEMBL4583154 0.87 AKT1 (0.72) AKT1AKT2AKT3DHPSMAPK13
SCHEMBL4584364 0.85 AKT1 (0.66) AKT1AKT2AKT3PIM1MAPKAPK2
SCHEMBL4583238 0.84 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL4585624 0.83 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL29644967 0.83 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL21067542 0.83 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL8239803 0.82 AKT1 (0.65) AKT1AKT2AKT3
SCHEMBL4583517 0.79 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL4599906 0.79 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL4585423 0.79 AKT1 (1.00) 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 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