SCHEMBL6092469

SCHEMBL6092469

O=C1NN=C(c2cccs2)/C1=C\c1[nH]c2c(c1CN1CCOCC1)CCCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 11/20 0.51
KDR P35968 9/20 0.51
FGFR1 P11362 7/20 0.51
LCK P06239 6/20 0.51
FYN P06241 6/20 0.51
YES1 P07947 6/20 0.51
PDGFRB P09619 6/20 0.42
ERCC1 P07992 1/20 0.37
DNASE1 P24855 1/20 0.37
FEN1 P39748 1/20 0.37
ERCC4 Q92889 1/20 0.37
ALK Q9UM73 1/20 0.36
HTT P42858 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35

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
SCHEMBL6092474 1.00 SRC (0.51) SRCKDRFGFR1LCKFYN
SCHEMBL6089946 0.93 SRC (0.42) SRCKDRFGFR1LCKFYN
SCHEMBL6089940 0.93 SRC (0.42) SRCKDRFGFR1LCKFYN
SCHEMBL6088093 0.92 SRC (0.42) SRCKDRFGFR1LCKFYN
SCHEMBL6088090 0.92 SRC (0.42) SRCKDRFGFR1LCKFYN
SCHEMBL6089301 0.91 SRC (0.44) SRCKDRFGFR1LCKFYN
SCHEMBL6089309 0.91 SRC (0.44) SRCKDRFGFR1LCKFYN
SCHEMBL6092373 0.84 SRC (0.51) SRCKDRFGFR1LCKFYN
SCHEMBL6092382 0.84 SRC (0.51) SRCKDRFGFR1LCKFYN
SCHEMBL6089867 0.84 SRC (0.51) 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