SCHEMBL6089731

SCHEMBL6089731

Cc1[nH]c(C=C2C(=O)NN=C2c2cnccn2)c(C)c1CN(C)CCN(C)C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.71
CHEK1 O14757 3/20 0.71
FGFR1 P11362 3/20 0.31
AURKA O14965 2/20 0.31
RET P07949 2/20 0.31
FLT1 P17948 2/20 0.31
FLT3 P36888 2/20 0.31
MAP4K2 Q12851 2/20 0.31
STK3 Q13188 2/20 0.31
AURKB Q96GD4 2/20 0.31
PDGFRB P09619 2/20 0.31
GAK O14976 1/20 0.31
RPS6KA5 O75582 1/20 0.31
RPS6KA4 O75676 1/20 0.31
LATS1 O95835 1/20 0.31
CSNK2A2 P19784 1/20 0.31
MAP2K2 P36507 1/20 0.31
ZAP70 P43403 1/20 0.31
MAP2K1 Q02750 1/20 0.31
STK4 Q13043 1/20 0.31

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
SCHEMBL6090086 0.93 KDR (0.74) KDRCHEK1FGFR1AURKARET
SCHEMBL6090076 0.93 KDR (0.74) KDRCHEK1FGFR1AURKARET
SCHEMBL7539763 0.93 KDR (0.85) KDRCHEK1FGFR1AURKARET
SCHEMBL6090476 0.90 KDR (0.82) KDRCHEK1FGFR1AURKARET
SCHEMBL6090461 0.90 KDR (0.82) KDRCHEK1FGFR1AURKARET
Maleic Acid SCHEMBL6090861 0.87 KDR (0.66) KDRCHEK1FGFR1AURKARET
Fumaric Acid SCHEMBL6090882 0.87 KDR (0.66) KDRCHEK1FGFR1AURKARET
SCHEMBL6090954 0.87 KDR (0.82) KDRCHEK1FGFR1AURKARET
SCHEMBL6090962 0.87 KDR (0.82) KDRCHEK1FGFR1AURKARET
SCHEMBL6090731 0.85 KDR (0.77) KDRCHEK1FGFR1AURKARET

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