SCHEMBL4562397

SCHEMBL4562397

CCn1c(-c2nonc2N)nc2c(-c3cc(Cl)cc(Cl)c3)ncc(C(=O)NN3CC#CC3)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 13/20 0.44
AKT1 P31749 11/20 0.44
ROCK1 Q13464 11/20 0.44
AKT2 P31751 6/20 0.44
AKT3 Q9Y243 6/20 0.44
RPS6KA1 Q15418 4/20 0.43
SLC2A1 P11166 1/20 0.42
ROCK2 O75116 2/20 0.38
GSK3A P49840 2/20 0.38
DAPK3 O43293 1/20 0.38
PRKD3 O94806 1/20 0.38
PIM1 P11309 1/20 0.38
PRKACA P17612 1/20 0.38
MARK3 P27448 1/20 0.38
GRK5 P34947 1/20 0.38
CDK8 P49336 1/20 0.38
CLK2 P49760 1/20 0.38
GSK3B P49841 1/20 0.38
CDK7 P50613 1/20 0.38
RPS6KA3 P51812 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
SCHEMBL4065700 0.91 RPS6KA5 (0.44) RPS6KA5AKT1ROCK1AKT2AKT3
SCHEMBL4065048 0.84 RPS6KA5 (0.47) RPS6KA5AKT1ROCK1AKT2AKT3
SCHEMBL4065691 0.81 AKT1 (0.61) RPS6KA5AKT1ROCK1AKT2AKT3
SCHEMBL4061112 0.80 RPS6KA5 (0.57) RPS6KA5AKT1ROCK1AKT2AKT3
SCHEMBL4065033 0.79 RPS6KA5 (0.48) RPS6KA5AKT1ROCK1AKT2AKT3
SCHEMBL4073423 0.78 SLC2A1 (0.47) RPS6KA5AKT1ROCK1AKT2AKT3
SCHEMBL4070054 0.78 RPS6KA5 (0.47) RPS6KA5AKT1ROCK1AKT2AKT3
Trifluoroacetic Acid SCHEMBL5063621 0.77 AKT1 (0.56) RPS6KA5AKT1ROCK1AKT2AKT3
SCHEMBL4071929 0.77 RPS6KA5 (0.55) RPS6KA5AKT1ROCK1AKT2AKT3
SCHEMBL4237181 0.76 SLC2A1 (0.48) RPS6KA5AKT1ROCK1AKT2AKT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1653961-A4 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORP (US) 2009-04-01 EP claimed
EP-1653961-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP claimed
WO-2005011700-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 WO claimed