SCHEMBL4089596

SCHEMBL4089596

O=C(Nc1n[nH]c2cc(C(=O)O)oc12)c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 11/20 0.49
KDR P35968 8/20 0.49
FLT1 P17948 5/20 0.49
KIT P10721 4/20 0.47
MCHR1 Q99705 3/20 0.47
AURKA O14965 4/20 0.46
LTA4H P09960 1/20 0.46
PSMB1 P20618 1/20 0.46
PSMB5 P28074 1/20 0.46
PSMB2 P49721 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALK Q9UM73 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CCNA1 P78396 1/20 0.45

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
SCHEMBL4082984 0.86 AURKA (0.48) FLT3KDRFLT1KITMCHR1
SCHEMBL4082914 0.85 HRH3 (0.48) FLT3KDRKITAURKAKDM4E
SCHEMBL4088588 0.84 HRH3 (0.49) FLT3KDRKITAURKAKDM4E
SCHEMBL4078156 0.83 KDR (0.45) FLT3KDRKITAURKAKDM4E
SCHEMBL4081802 0.83 FLT3 (0.43) FLT3KDRFLT1KITMCHR1
SCHEMBL4088196 0.79 KDR (0.54) FLT3KDRFLT1KITAURKA
SCHEMBL4088594 0.79 GPR35 (0.55) AURKACCNA2CDK2CCNA1
SCHEMBL4084078 0.79 KIT (0.57) FLT3KITALK
SCHEMBL4081022 0.78 FLT3 (0.50) FLT3KIT
SCHEMBL4083450 0.77 HIF1A (0.54) FLT3AURKACDK2CCNA1

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