SCHEMBL4086831

SCHEMBL4086831

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 13/20 0.54
KIT P10721 5/20 0.49
FLT3 P36888 3/20 0.49
NTRK1 P04629 3/20 0.47
KDR P35968 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
STK26 Q9P289 1/20 0.47
AURKC Q9UQB9 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
SCHEMBL4088635 0.93 AURKA (0.58) AURKAKITFLT3
SCHEMBL4081182 0.89 AURKA (0.61) AURKAKITFLT3NTRK1KDR
SCHEMBL4086381 0.86 FLT3 (0.42) AURKAFLT3NTRK1CDC7PAK4
SCHEMBL3881571 0.82 AURKA (0.61) AURKAKITFLT3NTRK1KDR
SCHEMBL3882930 0.82 AURKA (0.62) AURKAKITFLT3NTRK1KDR
SCHEMBL4086497 0.82 AURKA (0.71) AURKAKITFLT3
SCHEMBL740932 0.82 AURKA (0.53) AURKAKITFLT3NTRK1KDR
SCHEMBL4081465 0.81 ABL1 (0.54) AURKAFLT3KDR
SCHEMBL4078233 0.79 AURKA (0.54) AURKAKITFLT3NTRK1KDR
SCHEMBL4086290 0.79 MAPT (0.40)

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