SCHEMBL26261

SCHEMBL26261

C=C(NCCCSC)c1cccc2c1/C(=C/c1[nH]c(C)cc1C)C(=O)N2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.59
PDGFRB P09619 4/20 0.59
PDGFRA P16234 3/20 0.59
RET P07949 8/20 0.47
FLT3 P36888 3/20 0.47
ALK Q9UM73 3/20 0.47
CSF1R P07333 2/20 0.47
FGFR1 P11362 2/20 0.47
SRC P12931 2/20 0.47
FLT1 P17948 2/20 0.47
FGFR3 P22607 2/20 0.47
MAPK1 P28482 2/20 0.47
FLT4 P35916 2/20 0.47
PDPK1 O15530 2/20 0.47
NTRK1 P04629 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
GMNN O75496 1/20 0.47
USP2 O75604 1/20 0.47
ABL1 P00519 1/20 0.47

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
SCHEMBL31293 0.79 KDR (0.53) KDRPDGFRBPDGFRARETFLT3
SCHEMBL31292 0.79 KDR (0.53) KDRPDGFRBPDGFRARETFLT3
SCHEMBL5470642 0.76 RET (0.60) KDRPDGFRBPDGFRARETFLT3
SCHEMBL5470645 0.76 RET (0.60) KDRPDGFRBPDGFRARETFLT3
SCHEMBL12473996 0.75 PDGFRA (1.00) KDRPDGFRBPDGFRARETFLT3
SCHEMBL12473994 0.75 PDGFRA (1.00) KDRPDGFRBPDGFRARETFLT3
SCHEMBL12474005 0.75 KDR (1.00) KDRPDGFRBPDGFRARETFLT3
SCHEMBL12474001 0.75 KDR (1.00) KDRPDGFRBPDGFRARETFLT3
SCHEMBL13432277 0.73 RET (0.69) KDRPDGFRBPDGFRARETFLT3
SCHEMBL5475766 0.71 RET (0.64) KDRPDGFRBPDGFRARETFLT3

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-2012025726-A1 Novel Hybrid Compounds UNIVERSITY OF GREENWICH (GB) 2012-03-01 WO disclosed