SCHEMBL6091053

SCHEMBL6091053

Cc1[nH]c(C=C2C(=O)NN=C2c2ccno2)c(C)c1CN1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.40
CHEK1 O14757 3/20 0.40
HSD17B10 Q99714 1/20 0.39
PDGFRB P09619 6/20 0.36
FGFR1 P11362 6/20 0.36
MET P08581 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CSF1R P07333 3/20 0.34
KIT P10721 3/20 0.34
LCK P06239 3/20 0.34
FYN P06241 3/20 0.34
YES1 P07947 3/20 0.34
SRC P12931 3/20 0.34
FLT1 P17948 3/20 0.34
TLK2 Q86UE8 2/20 0.34
RIOK2 Q9BVS4 2/20 0.34
TLK1 Q9UKI8 2/20 0.34
GAK O14976 2/20 0.34
RPS6KA5 O75582 2/20 0.34

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
SCHEMBL6091046 1.00 KDR (0.40) KDRCHEK1HSD17B10PDGFRBFGFR1
SCHEMBL6089545 0.92 KDR (0.41) KDRCHEK1HSD17B10PDGFRBFGFR1
SCHEMBL6089550 0.92 KDR (0.41) KDRCHEK1HSD17B10PDGFRBFGFR1
SCHEMBL6088933 0.84 KDR (0.44) KDRCHEK1HSD17B10PDGFRBFGFR1
SCHEMBL6088946 0.84 KDR (0.44) KDRCHEK1HSD17B10PDGFRBFGFR1
SCHEMBL6091357 0.84 KDR (0.42) KDRCHEK1HSD17B10PDGFRBFGFR1
SCHEMBL6091348 0.84 KDR (0.42) KDRCHEK1HSD17B10PDGFRBFGFR1
SCHEMBL6089572 0.83 KDR (0.43) KDRCHEK1HSD17B10PDGFRBFGFR1
SCHEMBL6089581 0.83 KDR (0.43) KDRCHEK1HSD17B10PDGFRBFGFR1
SCHEMBL6090669 0.82 KDR (0.47) KDRCHEK1HSD17B10PDGFRBFGFR1

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