SCHEMBL6092402

SCHEMBL6092402

CCOC1=NNC(=O)C1=Cc1[nH]c(C)c(C(=O)O)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 10/20 0.45
PDGFRB P09619 4/20 0.45
FGFR1 P11362 4/20 0.45
ALK Q9UM73 3/20 0.45
RET P07949 3/20 0.45
ABL1 P00519 1/20 0.45
CHEK1 O14757 3/20 0.42
ALDH1A1 P00352 1/20 0.40
AURKB Q96GD4 6/20 0.39
AURKA O14965 3/20 0.39
MET P08581 2/20 0.39
AURKC Q9UQB9 2/20 0.39
KDR P35968 8/20 0.39
FLT4 P35916 5/20 0.39
KIT P10721 2/20 0.39
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6092395 1.00 FLT3 (0.45) FLT3PDGFRBFGFR1ALKRET
SCHEMBL6091151 0.89 ABL1 (0.57) FLT3PDGFRBFGFR1ALKRET
SCHEMBL6091157 0.89 ABL1 (0.57) FLT3PDGFRBFGFR1ALKRET
SCHEMBL6092846 0.85 PDGFRB (0.41) FLT3PDGFRBFGFR1ALKRET
SCHEMBL6092844 0.85 PDGFRB (0.41) FLT3PDGFRBFGFR1ALKRET
SCHEMBL6087996 0.83 ALK (0.43) FLT3PDGFRBFGFR1ALKRET
SCHEMBL6088002 0.83 ALK (0.43) FLT3PDGFRBFGFR1ALKRET
SCHEMBL6088031 0.82 PDGFRB (0.48) FLT3PDGFRBFGFR1ALKRET
SCHEMBL6088027 0.82 PDGFRB (0.48) FLT3PDGFRBFGFR1ALKRET
SCHEMBL6090825 0.81 KDR (0.55) FLT3PDGFRBFGFR1ALKRET

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