SCHEMBL6089623

SCHEMBL6089623

O=C1NN=C(c2cnccn2)/C1=C\c1[nH]c2c(c1CN1CCOCC1)CCCC2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.48
SRC P12931 7/20 0.48
FGFR1 P11362 5/20 0.48
LCK P06239 3/20 0.48
FYN P06241 3/20 0.48
YES1 P07947 3/20 0.48
CHEK1 O14757 1/20 0.44
PDGFRB P09619 3/20 0.39
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DYRK1A Q13627 1/20 0.32

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
SCHEMBL6090848 0.93 KDR (0.52) KDRSRCFGFR1LCKFYN
SCHEMBL6088556 0.92 KDR (0.51) KDRSRCFGFR1LCKFYN
SCHEMBL6088867 0.90 KDR (0.51) KDRSRCFGFR1LCKFYN
SCHEMBL6089168 0.87 SRC (0.49) KDRSRCFGFR1LCKFYN
SCHEMBL6089156 0.87 SRC (0.49) KDRSRCFGFR1LCKFYN
SCHEMBL6092382 0.86 SRC (0.51) KDRSRCFGFR1LCKFYN
SCHEMBL6092373 0.86 SRC (0.51) KDRSRCFGFR1LCKFYN
SCHEMBL6089561 0.86 SRC (0.49) KDRSRCFGFR1LCKFYN
SCHEMBL6089569 0.86 SRC (0.49) KDRSRCFGFR1LCKFYN
SCHEMBL6089694 0.85 KDR (0.50) KDRSRCFGFR1LCKFYN

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