SCHEMBL4086381

SCHEMBL4086381

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.42
CDK2 P24941 2/20 0.42
CDC7 O00311 1/20 0.42
DAPK3 O43293 1/20 0.42
ROCK2 O75116 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
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
STK3 Q13188 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
SCHEMBL4088609 0.88 AURKA (0.49) FLT3CDK2CDC7DAPK3ROCK2
SCHEMBL4086831 0.86 AURKA (0.54) FLT3CDC7PAK4PRKACAJAK3
SCHEMBL4088635 0.85 AURKA (0.58) FLT3AURKA
SCHEMBL4086290 0.84 MAPT (0.40) KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL4088217 0.81 AURKA (0.51) CDK2ROCK2CDK7AURKAHDAC6
SCHEMBL3879252 0.80 GPR35 (0.45) FLT3CDK2CDC7DAPK3ROCK2
SCHEMBL4083527 0.80 HDAC6 (0.42) FLT3CDK2CDC7DAPK3ROCK2
SCHEMBL4082950 0.79 AURKA (0.44) FLT3CDK2CDC7DAPK3ROCK2
SCHEMBL4092679 0.79 AURKA (0.49) FLT3CDK2CDC7DAPK3ROCK2
SCHEMBL739913 0.78 AURKA (0.42) FLT3CDK2CDC7DAPK3ROCK2

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