SCHEMBL4082122

SCHEMBL4082122

CCCOC(=O)c1cc2c(o1)c(NC(=O)c1ccc(OCCN3CCCC3)cc1)nn2C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.42
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
KDM4E B2RXH2 2/20 0.42
BRD4 O60885 3/20 0.41
JAK1 P23458 3/20 0.41
HDAC1 Q13547 3/20 0.41
MAPT P10636 2/20 0.41
FLT3 P36888 2/20 0.41
JAK2 O60674 1/20 0.41
RET P07949 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PSMB1 P20618 3/20 0.40
PSMB5 P28074 3/20 0.40
FLT1 P17948 1/20 0.40
KDR P35968 1/20 0.40
ESR1 P03372 1/20 0.40

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
SCHEMBL4083518 0.89 LMNA (0.44) MCHR1HRH3KDM4EHDAC1MAPT
SCHEMBL4093445 0.88 LMNA (0.44) MCHR1HRH3KDM4EHDAC1MAPT
SCHEMBL4086291 0.87 MAPK1 (0.44) MCHR1HRH3KDM4EHDAC1MAPT
SCHEMBL4083509 0.86 GPR35 (0.49) KDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL4083876 0.84 KIT (0.45) FLT3KDR
SCHEMBL4088619 0.84 GPR35 (0.42) MAPTALDH1A1THRB
SCHEMBL4083134 0.84 GPR35 (0.42) KDM4EHDAC1MAPTALDH1A1
SCHEMBL4088637 0.83 ALDH1A1 (0.43) KDM4EMAPTALDH1A1TSHR
SCHEMBL4083005 0.83 MAPT (0.44) MAPTFLT3HDAC8KDRTSHR
SCHEMBL4088668 0.83 SMN1; SMN2 (0.54) MAPTL3MBTL1TSHR

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 2 patents. 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 claimed
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