SCHEMBL2178554

SCHEMBL2178554

COCCOc1cc2nccc(Oc3ccc(NC(=O)Nc4nccs4)c(F)c3)c2cc1C#N.COCCOc1cc2nccc(Oc3ccc(NC(=O)Oc4ccccc4)c(F)c3)c2cc1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.48
PDGFRA P16234 7/20 0.48
AXL P30530 5/20 0.48
KIT P10721 4/20 0.48
FGFR2 P21802 1/20 0.48
MET P08581 6/20 0.45
HDAC1 Q13547 1/20 0.42
FLT1 P17948 3/20 0.41
EGFR P00533 2/20 0.41
RET P07949 2/20 0.41
SRC P12931 2/20 0.41
MST1R Q04912 2/20 0.41
BMPR1B O00238 1/20 0.41
PLK4 O00444 1/20 0.41
AURKA O14965 1/20 0.41
GAK O14976 1/20 0.41
EPHB6 O15197 1/20 0.41
RIPK2 O43353 1/20 0.41
STK10 O94804 1/20 0.41
ABL1 P00519 1/20 0.41

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
SCHEMBL1891253 0.93 KDR (0.55) KDRPDGFRAAXLKITFGFR2
SCHEMBL1893463 0.91 PDGFRA (0.52) KDRPDGFRAAXLKITFGFR2
SCHEMBL1893177 0.86 MET (0.53) KDRPDGFRAAXLKITFGFR2
SCHEMBL12673475 0.86 KDR (0.51) KDRPDGFRAAXLKITFGFR2
SCHEMBL1894997 0.85 KDR (0.57) KDRPDGFRAAXLKITFGFR2
SCHEMBL1897216 0.85 KDR (0.59) KDRPDGFRAAXLKITFGFR2
SCHEMBL12503732 0.85 KDR (0.58) KDRPDGFRAAXLKITFGFR2
SCHEMBL2178218 0.83 KDR (0.63) KDRPDGFRAAXLKITFGFR2
SCHEMBL12503701 0.83 KDR (0.49) KDRPDGFRAAXLKITFGFR2
SCHEMBL1892065 0.83 KDR (0.69) KDRPDGFRAAXLKITFGFR2

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
US-7973160-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-05 US disclosed