SCHEMBL6089678

SCHEMBL6089678

O=C1NN=C(c2cncnc2)/C1=C\c1[nH]c2c(c1CN1CCOCC1)CCCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.50
SRC P12931 13/20 0.50
FGFR1 P11362 10/20 0.50
LCK P06239 7/20 0.50
FYN P06241 7/20 0.50
YES1 P07947 7/20 0.50
PDGFRB P09619 9/20 0.40
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
GLA P06280 3/20 0.34
GAA P10253 3/20 0.34
HPGD P15428 3/20 0.34
CASP1 P29466 3/20 0.34
CASP7 P55210 3/20 0.34
HSD17B10 Q99714 3/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 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
SCHEMBL6089694 1.00 KDR (0.50) KDRSRCFGFR1LCKFYN
SCHEMBL6088723 0.93 KDR (0.41) KDRSRCFGFR1LCKFYN
SCHEMBL6088713 0.93 KDR (0.41) KDRSRCFGFR1LCKFYN
SCHEMBL6089912 0.92 SRC (0.41) KDRSRCFGFR1LCKFYN
SCHEMBL6089922 0.92 SRC (0.41) KDRSRCFGFR1LCKFYN
SCHEMBL6089569 0.90 SRC (0.49) KDRSRCFGFR1LCKFYN
SCHEMBL6089561 0.90 SRC (0.49) KDRSRCFGFR1LCKFYN
SCHEMBL6089760 0.89 SRC (0.43) KDRSRCFGFR1LCKFYN
SCHEMBL6089776 0.89 SRC (0.43) KDRSRCFGFR1LCKFYN
SCHEMBL6090509 0.88 KDR (0.51) 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