SCHEMBL4083876

SCHEMBL4083876

CCCOC(=O)c1cc2c(o1)c(NC(=O)c1ccc(OC3CCN(C)CC3)cc1)nn2C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIT P10721 4/20 0.45
FLT3 P36888 4/20 0.45
GSK3B P49841 6/20 0.39
DYRK1A Q13627 6/20 0.39
WNT1 P04628 2/20 0.39
CLK2 P49760 2/20 0.39
CLK3 P49761 2/20 0.39
GPR35 Q9HC97 1/20 0.38
KDM1A O60341 2/20 0.37
RCOR1 Q9UKL0 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LCK P06239 1/20 0.36
KDR P35968 1/20 0.36
MAPK14 Q16539 1/20 0.36
MAOB P27338 1/20 0.35

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
SCHEMBL4083005 0.86 MAPT (0.44) KITFLT3MEN1KMT2AKDR
SCHEMBL4083509 0.85 GPR35 (0.49) GPR35MEN1KMT2A
SCHEMBL4082722 0.85 RAB9A (0.43) KITFLT3MEN1KMT2ALCK
SCHEMBL4082122 0.84 MCHR1 (0.42) FLT3KDR
SCHEMBL4088619 0.83 GPR35 (0.42) GPR35MEN1KMT2AMAPK14
SCHEMBL4083134 0.83 GPR35 (0.42) GPR35
SCHEMBL4088637 0.83 ALDH1A1 (0.43) GPR35KMT2A
SCHEMBL4091779 0.83 LMNA (0.44) GPR35KMT2A
SCHEMBL4078418 0.83 HTT (0.43) MEN1KMT2AMAOB
SCHEMBL4086291 0.82 MAPK1 (0.44) MEN1KMT2A

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