SCHEMBL4092679

SCHEMBL4092679

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.49
USP36 Q9P275 2/20 0.44
ABL1 P00519 2/20 0.43
BCR P11274 2/20 0.43
HDAC6 Q9UBN7 5/20 0.42
CDC7 O00311 1/20 0.42
DAPK3 O43293 1/20 0.42
PAK4 O96013 1/20 0.42
CDK2 P24941 1/20 0.42
FLT3 P36888 1/20 0.42
CSNK1A1 P48729 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
CDK5 Q00535 1/20 0.42
DYRK1A Q13627 1/20 0.42
MELK Q14680 1/20 0.42
HIPK2 Q9H2X6 1/20 0.42
STK17A Q9UEE5 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) AURKAUSP36ABL1BCRHDAC6
SCHEMBL4083527 0.91 HDAC6 (0.42) AURKAHDAC6CDC7DAPK3PAK4
SCHEMBL4088609 0.90 AURKA (0.49) AURKAUSP36ABL1BCRHDAC6
SCHEMBL4082917 0.89 AURKA (0.48) AURKAABL1BCRHDAC6CDK2
SCHEMBL4091567 0.89 AURKA (0.48) AURKAABL1BCRFLT3NPC1
SCHEMBL4085444 0.88 AURKA (0.47) AURKAABL1BCRHDAC6CDC7
SCHEMBL4083473 0.86 PDE2A (0.47) AURKAABL1BCRHDAC6FLT3
SCHEMBL4088416 0.86 LMNA (0.42) AURKAABL1NPC1MAPTRAB9A
SCHEMBL4092903 0.86 ABL1 (0.61) AURKAABL1BCRHDAC6CDC7
SCHEMBL4083868 0.86 ABL1 (0.59) AURKAABL1BCRCDC7PAK4

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