SCHEMBL6089454

SCHEMBL6089454

CC(C)OC1=NNC(=O)/C1=C/c1[nH]c2c(c1CN1CCOCC1)CCCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 15/20 0.51
KDR P35968 11/20 0.51
FGFR1 P11362 9/20 0.51
LCK P06239 7/20 0.51
FYN P06241 7/20 0.51
YES1 P07947 7/20 0.51
PDGFRB P09619 9/20 0.40
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GLA P06280 2/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
HSD17B10 Q99714 2/20 0.33
PDE10A Q9Y233 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 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
SCHEMBL6089457 1.00 SRC (0.51) SRCKDRFGFR1LCKFYN
SCHEMBL6091206 0.93 SRC (0.42) SRCKDRFGFR1LCKFYN
SCHEMBL6091211 0.93 SRC (0.42) SRCKDRFGFR1LCKFYN
SCHEMBL6087537 0.92 SRC (0.41) SRCKDRFGFR1LCKFYN
SCHEMBL6090409 0.90 SRC (0.42) SRCKDRFGFR1LCKFYN
SCHEMBL6090416 0.90 SRC (0.42) SRCKDRFGFR1LCKFYN
SCHEMBL6089732 0.88 SRC (0.53) SRCKDRFGFR1LCKFYN
SCHEMBL6089741 0.88 SRC (0.53) SRCKDRFGFR1LCKFYN
SCHEMBL6089313 0.81 CHEK1 (0.41) SRCKDRFGFR1LCKFYN
SCHEMBL6089318 0.81 CHEK1 (0.41) SRCKDRFGFR1LCKFYN

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