SCHEMBL6088795

SCHEMBL6088795

CCOC(=O)c1c(C)[nH]c(/C=C2/C(=O)NN=C2C(C)c2ccc(N)cc2)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.52
RET P07949 1/20 0.52
PDGFRB P09619 1/20 0.52
FGFR1 P11362 1/20 0.52
FLT3 P36888 1/20 0.52
ALK Q9UM73 1/20 0.52
CSF1R P07333 1/20 0.39
MAPT P10636 6/20 0.39
KMT2A Q03164 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 3/20 0.39
CHEK1 O14757 1/20 0.39
ALDH1A1 P00352 5/20 0.36
HTT P42858 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 3/20 0.36
HPGD P15428 2/20 0.36

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
SCHEMBL6091012 0.82 CHEK1 (0.47) ABL1RETPDGFRBFGFR1FLT3
SCHEMBL6088187 0.82 PDGFRB (0.55) ABL1RETPDGFRBFGFR1FLT3
SCHEMBL6088802 0.81 ABL1 (0.54) ABL1RETPDGFRBFGFR1FLT3
SCHEMBL6092837 0.80 RET (0.57) ABL1RETPDGFRBFGFR1FLT3
SCHEMBL6092829 0.80 RET (0.57) ABL1RETPDGFRBFGFR1FLT3
SCHEMBL6092551 0.78 ALK (0.55) ABL1RETPDGFRBFGFR1FLT3
SCHEMBL6092555 0.78 ALK (0.55) ABL1RETPDGFRBFGFR1FLT3
SCHEMBL6091263 0.77 ABL1 (0.63) ABL1RETPDGFRBFGFR1FLT3
SCHEMBL6091268 0.77 ABL1 (0.63) ABL1RETPDGFRBFGFR1FLT3
SCHEMBL6091398 0.76 ABL1 (0.54) 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 3 patents. 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
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