SCHEMBL6093559

SCHEMBL6093559

Cc1[nH]c(C=C2C(=O)NN=C2c2ccco2)c(C)c1CN1CCN(C)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.48
FGFR1 P11362 5/20 0.48
PDGFRB P09619 4/20 0.48
CHEK1 O14757 4/20 0.40
CSF1R P07333 4/20 0.34
RET P07949 3/20 0.34
FLT1 P17948 3/20 0.34
LCK P06239 2/20 0.34
PHKG2 P15735 2/20 0.34
FGFR3 P22607 2/20 0.34
AXL P30530 2/20 0.34
ALK Q9UM73 2/20 0.34
ABL1 P00519 1/20 0.34
FYN P06241 1/20 0.34
KIT P10721 1/20 0.34
ABL2 P42684 1/20 0.34
PTK2 Q05397 1/20 0.34
KCNH2 Q12809 1/20 0.34
PTK2B Q14289 1/20 0.34
AURKA O14965 2/20 0.33

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
SCHEMBL6093552 1.00 KDR (0.48) KDRFGFR1PDGFRBCHEK1CSF1R
SCHEMBL6091540 0.93 KDR (0.41) KDRFGFR1PDGFRBCHEK1CSF1R
SCHEMBL6091544 0.93 KDR (0.41) KDRFGFR1PDGFRBCHEK1CSF1R
SCHEMBL6091062 0.92 KDR (0.41) KDRFGFR1PDGFRBCHEK1CSF1R
SCHEMBL6091067 0.92 KDR (0.41) KDRFGFR1PDGFRBCHEK1CSF1R
SCHEMBL6091298 0.83 KDR (0.48) KDRFGFR1PDGFRBCHEK1CSF1R
SCHEMBL6091302 0.83 KDR (0.48) KDRFGFR1PDGFRBCHEK1CSF1R
SCHEMBL6090614 0.83 KDR (0.49) KDRFGFR1PDGFRBCHEK1CSF1R
SCHEMBL6090621 0.83 KDR (0.49) KDRFGFR1PDGFRBCHEK1CSF1R
SCHEMBL6090179 0.82 SRC (0.45) KDRFGFR1PDGFRBLCKFYN

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