SCHEMBL20229

SCHEMBL20229

CCCC(CCC)C(=O)Oc1ccc2c(c1)C(=Cc1[nH]c(C)cc1C)C(=O)N2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 10/20 0.64
KDR P35968 6/20 0.58
PDPK1 O15530 2/20 0.58
TLK2 Q86UE8 1/20 0.58
PDGFRB P09619 4/20 0.57
FLT3 P36888 4/20 0.55
ALK Q9UM73 4/20 0.55
CSF1R P07333 2/20 0.53
FGFR1 P11362 2/20 0.53
SRC P12931 2/20 0.53
FLT1 P17948 2/20 0.53
FGFR3 P22607 2/20 0.53
MAPK1 P28482 2/20 0.53
FLT4 P35916 2/20 0.53
PDGFRA P16234 2/20 0.53
ABL1 P00519 2/20 0.53
NTRK1 P04629 2/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
GMNN O75496 1/20 0.53

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
SCHEMBL20228 1.00 RET (0.64) RETKDRPDPK1TLK2PDGFRB
SCHEMBL5368750 0.83 RET (0.71) RETKDRPDPK1TLK2PDGFRB
SCHEMBL12473999 0.80 TLK2 (0.69) RETKDRPDPK1TLK2PDGFRB
SCHEMBL25111 0.80 TLK2 (0.69) RETKDRPDPK1TLK2PDGFRB
SCHEMBL19816 0.79 RET (1.00) RETKDRPDPK1TLK2PDGFRB
SCHEMBL19817 0.79 RET (1.00) RETKDRPDPK1TLK2PDGFRB
SCHEMBL5369648 0.78 TLK2 (0.74) RETKDRPDPK1TLK2PDGFRB
SCHEMBL5357699 0.77 RET (0.73) RETKDRPDPK1TLK2PDGFRB
SCHEMBL5364426 0.77 RET (0.67) RETKDRPDPK1TLK2PDGFRB
SCHEMBL12474012 0.74 TLK2 (0.38) RETKDRPDPK1TLK2FLT3

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