SCHEMBL4081182

SCHEMBL4081182

CC(C)(NC(=O)c1cc2[nH]nc(NC(=O)c3ccc(N4CCOCC4)cc3)c2o1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 13/20 0.61
ABL1 P00519 1/20 0.51
BCR P11274 1/20 0.51
KIT P10721 4/20 0.49
FLT3 P36888 3/20 0.49
KDR P35968 2/20 0.47
NTRK1 P04629 2/20 0.47
CDC7 O00311 1/20 0.47
CHEK1 O14757 1/20 0.47
JAK2 O60674 1/20 0.47
PAK4 O96013 1/20 0.47
PRKCB P05771 1/20 0.47
INSR P06213 1/20 0.47
RET P07949 1/20 0.47
FGFR1 P11362 1/20 0.47
PRKACA P17612 1/20 0.47
FLT4 P35916 1/20 0.47
JAK3 P52333 1/20 0.47
PDK1 Q15118 1/20 0.47
AURKB Q96GD4 1/20 0.47

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
SCHEMBL4086497 0.92 AURKA (0.71) AURKAABL1BCRKITFLT3
SCHEMBL4086831 0.89 AURKA (0.54) AURKAKITFLT3KDRNTRK1
SCHEMBL4081465 0.89 ABL1 (0.54) AURKAABL1BCRFLT3KDR
SCHEMBL653338 0.88 AURKA (0.65) AURKAABL1BCRKITFLT3
SCHEMBL4088217 0.87 AURKA (0.51) AURKAABL1BCRJAK2FGFR1
SCHEMBL4088609 0.85 AURKA (0.49) AURKAABL1BCRFLT3NTRK1
SCHEMBL4092679 0.85 AURKA (0.49) AURKAABL1BCRFLT3CDC7
SCHEMBL3881571 0.85 AURKA (0.61) AURKAKITFLT3KDRNTRK1
SCHEMBL18108801 0.84 AURKA (0.60) AURKAABL1BCRKITFLT3
SCHEMBL4092903 0.84 ABL1 (0.61) AURKAABL1BCRKITFLT3

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