SCHEMBL4064833

SCHEMBL4064833

Nc1ccccc1Sc1ccc2c(/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
RET P07949 3/20 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
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
SCHEMBL4064842 1.00 KDR (0.40) KDRFGFR1RETPLK4AURKA
SCHEMBL30628346 0.89 KDR (0.47) KDRFGFR1RETPLK4AURKA
SCHEMBL31249530 0.88 KDR (0.36) KDRFGFR1RETPLK4AURKA
SCHEMBL31249566 0.88 KDR (0.36) KDRFGFR1RETPLK4AURKA
SCHEMBL18186761 0.85 KDR (0.57) KDRFGFR1RETPLK4AURKA
SCHEMBL13446211 0.85 KDR (0.57) KDRFGFR1RETPLK4AURKA
SCHEMBL30585616 0.85 KDR (0.57) KDRFGFR1RETPLK4AURKA
SCHEMBL4053575 0.85 RET (0.37) KDRFGFR1RETATR
SCHEMBL4053570 0.85 RET (0.37) KDRFGFR1RETATR
SCHEMBL8092372 0.85 RET (0.31) RET

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