SCHEMBL4051141

SCHEMBL4051141

COC(=O)CCCCNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.72
FGFR1 P11362 6/20 0.72
ABL1 P00519 3/20 0.71
CSF1R P07333 3/20 0.71
PDGFRB P09619 3/20 0.71
KIT P10721 3/20 0.71
PDGFRA P16234 3/20 0.71
PLK4 O00444 2/20 0.71
AURKA O14965 2/20 0.71
MAP4K4 O95819 2/20 0.71
PAK4 O96013 2/20 0.71
LCK P06239 2/20 0.71
RET P07949 2/20 0.71
MET P08581 2/20 0.71
FLT1 P17948 2/20 0.71
FGFR3 P22607 2/20 0.71
TYK2 P29597 2/20 0.71
AXL P30530 2/20 0.71
FLT4 P35916 2/20 0.71
BLK P51451 2/20 0.71

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
SCHEMBL4897769 0.99 KDR (0.71) KDRFGFR1ABL1CSF1RPDGFRB
SCHEMBL4064379 0.99 KDR (0.71) KDRFGFR1ABL1CSF1RPDGFRB
SCHEMBL4892656 0.93 KDR (0.70) KDRFGFR1ABL1CSF1RPDGFRB
SCHEMBL4488914 0.93 KDR (0.70) KDRFGFR1ABL1CSF1RPDGFRB
SCHEMBL4058055 0.90 KDR (0.70) KDRFGFR1ABL1CSF1RPDGFRB
SCHEMBL4058051 0.90 KDR (0.70) KDRFGFR1ABL1CSF1RPDGFRB
SCHEMBL14067309 0.90 KDR (0.78) KDRFGFR1ABL1CSF1RPDGFRB
SCHEMBL4805651 0.89 KDR (0.69) KDRFGFR1ABL1CSF1RPDGFRB
SCHEMBL4053989 0.89 KDR (0.69) KDRFGFR1ABL1CSF1RPDGFRB
SCHEMBL4805643 0.89 KDR (0.69) KDRFGFR1ABL1CSF1RPDGFRB

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