SCHEMBL6091544

SCHEMBL6091544

Cc1[nH]c(C=C2C(=O)NN=C2c2ccco2)c(C)c1CN1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.41
CHEK1 O14757 3/20 0.41
FGFR1 P11362 4/20 0.39
PDGFRB P09619 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.35
ADRB2 P07550 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
HSD17B10 Q99714 2/20 0.35
AURKA O14965 2/20 0.34
RET P07949 2/20 0.34
FLT1 P17948 2/20 0.34
FLT3 P36888 2/20 0.34
MAP4K2 Q12851 2/20 0.34
STK3 Q13188 2/20 0.34
AURKB Q96GD4 2/20 0.34
GAK O14976 1/20 0.34
RPS6KA5 O75582 1/20 0.34
RPS6KA4 O75676 1/20 0.34
LATS1 O95835 1/20 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
SCHEMBL6091540 1.00 KDR (0.41) KDRCHEK1FGFR1PDGFRBL3MBTL1
SCHEMBL6091062 0.99 KDR (0.41) KDRCHEK1FGFR1PDGFRBL3MBTL1
SCHEMBL6091067 0.99 KDR (0.41) KDRCHEK1FGFR1PDGFRBL3MBTL1
SCHEMBL6093552 0.93 KDR (0.48) KDRCHEK1FGFR1PDGFRBAURKA
SCHEMBL6093559 0.93 KDR (0.48) KDRCHEK1FGFR1PDGFRBAURKA
SCHEMBL6100216 0.89 KDR (0.34) KDRCHEK1FGFR1PDGFRBL3MBTL1
SCHEMBL6100221 0.89 KDR (0.34) KDRCHEK1FGFR1PDGFRBL3MBTL1
SCHEMBL6091298 0.85 KDR (0.48) KDRCHEK1FGFR1PDGFRBAURKA
SCHEMBL6091302 0.85 KDR (0.48) KDRCHEK1FGFR1PDGFRBAURKA
SCHEMBL6089545 0.84 KDR (0.41) KDRCHEK1FGFR1PDGFRBL3MBTL1

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