SCHEMBL4064004

SCHEMBL4064004

COC(=O)c1c(OC)ccc2c1/C(=C/c1[nH]c(C)c(C(=O)O)c1C)C(=O)N2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.55
FLT3 P36888 10/20 0.53
KDR P35968 6/20 0.53
FLT4 P35916 4/20 0.53
KIT P10721 2/20 0.53
AURKB Q96GD4 6/20 0.51
PDGFRB P09619 4/20 0.51
AURKA O14965 1/20 0.51
MET P08581 1/20 0.51
AURKC Q9UQB9 1/20 0.51
ABL1 P00519 1/20 0.47
RET P07949 1/20 0.47
FGFR1 P11362 1/20 0.47
LRRK2 Q5S007 1/20 0.45
EGFR P00533 1/20 0.43
PDGFRA P16234 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
CSF1R P07333 2/20 0.43
HDAC3 O15379 1/20 0.42

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
SCHEMBL3953189 0.82 KDR (0.69) ALKFLT3KDRFLT4KIT
SCHEMBL3486770 0.81 RET (0.55) ALKFLT3KDRFLT4KIT
SCHEMBL4049914 0.81 KDR (0.71) ALKFLT3KDRFLT4KIT
SCHEMBL6329001 0.79 ALK (0.52) ALKFLT3KDRFLT4KIT
SCHEMBL3486324 0.79 RET (0.57) ALKFLT3KDRFLT4KIT
SCHEMBL4566082 0.78 ALK (0.66) ALKFLT3KDRFLT4KIT
SCHEMBL2112477 0.77 ALK (0.59) ALKFLT3KDRFLT4KIT
SCHEMBL3267645 0.76 ALK (0.73) ALKFLT3KDRFLT4KIT
SCHEMBL6324208 0.75 FLT3 (0.60) ALKFLT3KDRFLT4KIT
SCHEMBL6324202 0.75 FLT3 (0.60) ALKFLT3KDRFLT4KIT

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
WO-2009030270-A1 DIHYDROINDOLE DERIVATIVES USEFUL IN PARKINSON'S DISEASE NOVARTIS AG (CH) 2009-03-12 WO disclosed