SCHEMBL4088609

SCHEMBL4088609

CC(C)(NC(=O)c1cc2[nH]nc(NC(=O)c3ccc(F)cc3)c2o1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.49
CDK2 P24941 3/20 0.42
ROCK2 O75116 2/20 0.42
CDC7 O00311 1/20 0.42
DAPK3 O43293 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
PAK4 O96013 1/20 0.42
PIM1 P11309 1/20 0.42
PRKACA P17612 1/20 0.42
FLT3 P36888 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CDK8 P49336 1/20 0.42
CLK2 P49760 1/20 0.42
CDK7 P50613 1/20 0.42
CDK9 P50750 1/20 0.42
PRKX P51817 1/20 0.42
JAK3 P52333 1/20 0.42
CDK5 Q00535 1/20 0.42
MAP4K2 Q12851 1/20 0.42

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
SCHEMBL4088217 0.93 AURKA (0.51) AURKACDK2ROCK2CDK7ABL1
SCHEMBL4083527 0.91 HDAC6 (0.42) AURKACDK2ROCK2CDC7DAPK3
SCHEMBL4082950 0.91 AURKA (0.44) AURKACDK2ROCK2CDC7DAPK3
SCHEMBL4092679 0.90 AURKA (0.49) AURKACDK2ROCK2CDC7DAPK3
SCHEMBL4082917 0.89 AURKA (0.48) AURKACDK2ROCK2FLT3CDK7
SCHEMBL4091567 0.89 AURKA (0.48) AURKAROCK2FLT3ABL1BCR
SCHEMBL4083473 0.88 PDE2A (0.47) AURKAFLT3ABL1BCRHDAC6
SCHEMBL4086381 0.88 FLT3 (0.42) AURKACDK2ROCK2CDC7DAPK3
SCHEMBL4085444 0.88 AURKA (0.47) AURKACDK2ROCK2CDC7DAPK3
SCHEMBL4083477 0.86 AURKA (0.42) AURKAPAK4HDAC6IMPDH2SMN1; SMN2

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
EP-2058315-A1 1H-Furo[3,2-C]Pyrazoles active as aurora kinase inhibitors Nerviano Medical Sciences S.r.l. (IT) 2009-05-13 EP disclosed