SCHEMBL4082984

SCHEMBL4082984

CC(C)(NC(=O)c1cc2[nH]nc(NC(=O)c3ccc(OCCN4CCCC4)cc3)c2o1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.48
ABL1 P00519 1/20 0.48
BCR P11274 1/20 0.48
KIT P10721 7/20 0.46
FLT3 P36888 9/20 0.46
KDR P35968 4/20 0.46
FLT1 P17948 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MCHR1 Q99705 3/20 0.44
ALK Q9UM73 1/20 0.44
LTA4H P09960 1/20 0.43

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
SCHEMBL4081802 0.90 FLT3 (0.43) AURKAABL1BCRKITFLT3
SCHEMBL4092903 0.87 ABL1 (0.61) AURKAABL1BCRKITFLT3
SCHEMBL4093502 0.87 ABL1 (0.63) AURKAABL1BCRKITFLT3
SCHEMBL4089596 0.86 FLT3 (0.49) AURKAKITFLT3KDRFLT1
SCHEMBL4083868 0.86 ABL1 (0.59) AURKAABL1BCRKITFLT3
SCHEMBL4082917 0.84 AURKA (0.48) AURKAABL1BCRFLT3MEN1
SCHEMBL4091567 0.84 AURKA (0.48) AURKAABL1BCRKITFLT3
SCHEMBL4081436 0.83 AURKA (0.57) AURKAABL1BCRKITFLT3
SCHEMBL4081942 0.83 KIT (0.54) AURKAABL1BCRKITFLT3
SCHEMBL4088217 0.83 AURKA (0.51) AURKAABL1BCR

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