SCHEMBL6090757

SCHEMBL6090757

Cc1[nH]c(C=C2C(=O)NN=C2c2cncnc2)c(C)c1CN1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.43
CHEK1 O14757 3/20 0.43
HSD17B10 Q99714 1/20 0.38
FGFR1 P11362 5/20 0.35
PDGFRB P09619 3/20 0.35
MET P08581 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LCK P06239 3/20 0.33
FYN P06241 3/20 0.33
YES1 P07947 3/20 0.33
SRC P12931 3/20 0.33
CSF1R P07333 2/20 0.32
TLK2 Q86UE8 2/20 0.32
RIOK2 Q9BVS4 2/20 0.32
TLK1 Q9UKI8 2/20 0.32
FLT1 P17948 2/20 0.32
BMPR1B O00238 1/20 0.32
PLK4 O00444 1/20 0.32
STK25 O00506 1/20 0.32

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
SCHEMBL6090742 1.00 KDR (0.43) KDRCHEK1HSD17B10FGFR1PDGFRB
SCHEMBL6090083 0.89 KDR (0.45) KDRCHEK1HSD17B10FGFR1PDGFRB
SCHEMBL6090081 0.89 KDR (0.45) KDRCHEK1HSD17B10FGFR1PDGFRB
SCHEMBL6091357 0.87 KDR (0.42) KDRCHEK1HSD17B10FGFR1PDGFRB
SCHEMBL6091348 0.87 KDR (0.42) KDRCHEK1HSD17B10FGFR1PDGFRB
SCHEMBL6088205 0.84 KDR (0.63) KDRCHEK1HSD17B10FGFR1PDGFRB
SCHEMBL6088221 0.84 KDR (0.63) KDRCHEK1HSD17B10FGFR1PDGFRB
SCHEMBL6088946 0.84 KDR (0.44) KDRCHEK1HSD17B10FGFR1PDGFRB
SCHEMBL6088933 0.84 KDR (0.44) KDRCHEK1HSD17B10FGFR1PDGFRB
SCHEMBL6090669 0.84 KDR (0.47) KDRCHEK1HSD17B10FGFR1PDGFRB

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-7060822-B1 2-pyrazolin-5-ones ABBOTT GMBH & CO. KG (DE) 2006-06-13 US disclosed