SCHEMBL8233302

SCHEMBL8233302

NCC(NC(=O)c1cc(-c2ccccc2)c(-c2ccnc3c2ccn3S(=O)(=O)c2ccccc2)s1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 16/20 0.63
AKT2 P31751 2/20 0.51
AKT3 Q9Y243 2/20 0.51
MMP12 P39900 1/20 0.39
TACR3 P29371 1/20 0.39
RPS6KA5 O75582 2/20 0.38
GSK3B P49841 2/20 0.38
NEK4 P51957 2/20 0.38
PRKCD Q05655 2/20 0.38
PRKG2 Q13237 2/20 0.38
ROCK1 Q13464 2/20 0.38
PRKG1 Q13976 2/20 0.38
PKN2 Q16513 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
MAPK13 O15264 1/20 0.38
DYRK3 O43781 1/20 0.38
ROCK2 O75116 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
CHEK2 O96017 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
SCHEMBL8240638 0.82 AKT1 (0.51) AKT1AKT2AKT3MMP12
SCHEMBL8243234 0.80 AKT1 (0.57) AKT1AKT2AKT3
SCHEMBL4584230 0.79 AKT1 (0.48) AKT1AKT2AKT3
SCHEMBL4585423 0.78 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL4583127 0.73 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL4592678 0.73 AKT1 (0.46) AKT1AKT2AKT3
SCHEMBL8243099 0.72 AKT1 (0.47) AKT1TACR3ROCK1ROCK2MAPK1
SCHEMBL8233993 0.72 AKT1 (0.45) AKT1AKT2AKT3DYRK1ADYRK1B
SCHEMBL4592495 0.70 AKT1 (0.46) AKT1
SCHEMBL4581928 0.69 CYP2C19 (0.38) AKT1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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