SCHEMBL6089169

SCHEMBL6089169

Cc1[nH]c(C=C2C(=O)NN=C2c2ncccn2)c(C)c1CN(C(C)O)C(C)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.47
CHEK1 O14757 3/20 0.47
FGFR1 P11362 7/20 0.36
PDGFRB P09619 7/20 0.36
FLT3 P36888 4/20 0.36
RET P07949 3/20 0.36
AURKA O14965 2/20 0.36
FLT1 P17948 2/20 0.36
MAP4K2 Q12851 2/20 0.36
STK3 Q13188 2/20 0.36
AURKB Q96GD4 2/20 0.36
ALK Q9UM73 2/20 0.36
FLT4 P35916 2/20 0.36
GAK O14976 1/20 0.36
RPS6KA5 O75582 1/20 0.36
RPS6KA4 O75676 1/20 0.36
LATS1 O95835 1/20 0.36
CSNK2A2 P19784 1/20 0.36
MAP2K2 P36507 1/20 0.36
ZAP70 P43403 1/20 0.36

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
SCHEMBL6088716 0.87 KDR (0.52) KDRCHEK1FGFR1PDGFRBFLT3
SCHEMBL6088708 0.87 KDR (0.52) KDRCHEK1FGFR1PDGFRBFLT3
SCHEMBL6090774 0.85 KDR (0.47) KDRCHEK1FGFR1PDGFRBFLT3
SCHEMBL6087836 0.84 KDR (0.50) KDRCHEK1FGFR1PDGFRBFLT3
SCHEMBL6088580 0.84 KDR (0.48) KDRCHEK1FGFR1PDGFRBFLT3
SCHEMBL6091319 0.83 KDR (0.45) KDRCHEK1FGFR1PDGFRBFLT3
SCHEMBL6092509 0.83 KDR (0.47) KDRCHEK1FGFR1PDGFRBFLT3
SCHEMBL6092002 0.83 KDR (0.43) KDRCHEK1FGFR1PDGFRBFLT3
SCHEMBL6093589 0.83 CHEK1 (0.41) KDRCHEK1FGFR1PDGFRBFLT3
SCHEMBL6088229 0.81 KDR (0.45) KDRCHEK1FGFR1PDGFRBFLT3

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