SCHEMBL4091205

SCHEMBL4091205

CCCOC(=O)c1cc2c(o1)c(NC(=O)c1ccc(N3CCOCC3)cc1)nn2C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.46
CSNK1D P48730 1/20 0.44
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 3/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
BTK Q06187 2/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
STAT3 P40763 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
AURKA O14965 1/20 0.41

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
SCHEMBL3880434 0.93 LRRK2 (0.47) LRRK2CSNK1DMAPTSMN1; SMN2KDM4E
SCHEMBL4083005 0.93 MAPT (0.44) MAPTSMN1; SMN2HPGDMEN1KMT2A
SCHEMBL4088668 0.90 SMN1; SMN2 (0.54) MAPTSMN1; SMN2KMT2AMAPK1RAB9A
SCHEMBL4088637 0.86 ALDH1A1 (0.43) MAPTSMN1; SMN2KDM4EHPGDKMT2A
SCHEMBL4091779 0.86 LMNA (0.44) MAPTSMN1; SMN2KDM4EHPGDKMT2A
SCHEMBL4078418 0.86 HTT (0.43) MAPTSMN1; SMN2KDM4EHPGDMEN1
SCHEMBL3880690 0.86 MAPT (0.46) MAPTHPGDMEN1KMT2ARAB9A
SCHEMBL4083509 0.85 GPR35 (0.49) MAPTSMN1; SMN2KDM4EHPGDMEN1
SCHEMBL4086291 0.85 MAPK1 (0.44) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL4083518 0.85 LMNA (0.44) MAPTSMN1; SMN2KDM4EMEN1KMT2A

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