SCHEMBL6091068

SCHEMBL6091068

CCOC(=O)c1c[nH]c(/C=C2/C(=O)NN=C2OCC)c1C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.39
RET P07949 1/20 0.39
PDGFRB P09619 1/20 0.39
FGFR1 P11362 1/20 0.39
FLT3 P36888 1/20 0.39
ALK Q9UM73 1/20 0.39
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRB1 P18505 1/20 0.36
GABRA3 P34903 1/20 0.36
CLEC4M Q9H2X3 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL6091072 1.00 ABL1 (0.39) ABL1RETPDGFRBFGFR1FLT3
SCHEMBL6090389 0.88 ABL1 (0.37) ABL1RETPDGFRBFGFR1FLT3
SCHEMBL6090393 0.88 ABL1 (0.37) ABL1RETPDGFRBFGFR1FLT3
SCHEMBL6091857 0.87 ABL1 (0.36) ABL1RETPDGFRBFGFR1FLT3
SCHEMBL6091853 0.87 ABL1 (0.36) ABL1RETPDGFRBFGFR1FLT3
SCHEMBL6090932 0.82 ABL1 (0.37) ABL1RETPDGFRBFGFR1FLT3
SCHEMBL6090925 0.82 ABL1 (0.37) ABL1RETPDGFRBFGFR1FLT3
SCHEMBL6090412 0.80 KDR (0.53) ABL1RETPDGFRBFGFR1FLT3
SCHEMBL6090425 0.80 KDR (0.53) ABL1RETPDGFRBFGFR1FLT3
SCHEMBL6091157 0.80 ABL1 (0.57) ABL1RETPDGFRBFGFR1FLT3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218373-A2 2-PYRAZOLIN-5-ONES AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2002-07-03 EP claimed
WO-2001009121-A2 2-PYRAZOLIN-5-ONES_AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-02-08 WO claimed
US-7060822-B1 2-pyrazolin-5-ones ABBOTT GMBH & CO. KG (DE) 2006-06-13 US disclosed
EP-1218373-A2 2-PYRAZOLIN-5-ONES AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2002-07-03 EP disclosed
WO-2001009121-A2 2-PYRAZOLIN-5-ONES_AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-02-08 WO disclosed