SCHEMBL4064557

SCHEMBL4064557

O=C(O)CCCCCOc1ccccc1Sc1ccc2c(/C=C/c3ccccn3)nn(C3CCCCO3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.40
FGFR1 P11362 6/20 0.37
PLK4 O00444 2/20 0.37
AURKA O14965 2/20 0.37
MAP4K4 O95819 2/20 0.37
PAK4 O96013 2/20 0.37
ABL1 P00519 2/20 0.37
LCK P06239 2/20 0.37
CSF1R P07333 2/20 0.37
RET P07949 2/20 0.37
MET P08581 2/20 0.37
PDGFRB P09619 2/20 0.37
KIT P10721 2/20 0.37
PDGFRA P16234 2/20 0.37
FLT1 P17948 2/20 0.37
FGFR3 P22607 2/20 0.37
TYK2 P29597 2/20 0.37
AXL P30530 2/20 0.37
FLT4 P35916 2/20 0.37
BLK P51451 2/20 0.37

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
SCHEMBL4061934 1.00 KDR (0.40) KDRFGFR1PLK4AURKAMAP4K4
SCHEMBL4064558 1.00 KDR (0.40) KDRFGFR1PLK4AURKAMAP4K4
SCHEMBL4061938 1.00 KDR (0.40) KDRFGFR1PLK4AURKAMAP4K4
SCHEMBL4485148 0.89 KDR (0.47) KDRFGFR1PLK4AURKAMAP4K4
SCHEMBL4485143 0.88 KDR (0.40) KDRFGFR1PLK4AURKAMAP4K4
SCHEMBL4485145 0.88 KDR (0.40) KDRFGFR1PLK4AURKAMAP4K4
SCHEMBL4058955 0.88 KDR (0.47) KDRFGFR1PLK4AURKAMAP4K4
SCHEMBL4058951 0.88 KDR (0.40) KDRFGFR1PLK4AURKAMAP4K4
SCHEMBL4061588 0.88 KDR (0.39) KDRFGFR1PLK4AURKAMAP4K4
SCHEMBL4061591 0.88 KDR (0.39) KDRFGFR1PLK4AURKAMAP4K4

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-2009036066-A1 VEGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-03-19 WO disclosed