SCHEMBL6087996

SCHEMBL6087996

Cc1[nH]c(/C=C2/C(=O)NN=C2OC(C)C)c(C)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.43
CHEK1 O14757 1/20 0.40
FLT3 P36888 10/20 0.39
KDR P35968 5/20 0.39
FLT4 P35916 4/20 0.39
KIT P10721 2/20 0.39
PDGFRB P09619 3/20 0.38
FGFR1 P11362 2/20 0.38
ABL1 P00519 1/20 0.38
RET P07949 1/20 0.38
AURKB Q96GD4 7/20 0.38
AURKA O14965 1/20 0.38
MET P08581 1/20 0.38
AURKC Q9UQB9 1/20 0.38
CSF1R P07333 1/20 0.35
ALDH1A1 P00352 1/20 0.32
LRRK2 Q5S007 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 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
SCHEMBL6088002 1.00 ALK (0.43) ALKCHEK1FLT3KDRFLT4
SCHEMBL6092769 0.91 CHEK1 (0.40) ALKCHEK1FLT3KDRFLT4
SCHEMBL6092771 0.91 CHEK1 (0.40) ALKCHEK1FLT3KDRFLT4
SCHEMBL6091394 0.86 ABL1 (0.54) ALKCHEK1FLT3PDGFRBFGFR1
SCHEMBL6091398 0.86 ABL1 (0.54) ALKCHEK1FLT3PDGFRBFGFR1
SCHEMBL6092395 0.83 FLT3 (0.45) ALKCHEK1FLT3KDRFLT4
SCHEMBL6092402 0.83 FLT3 (0.45) ALKCHEK1FLT3KDRFLT4
SCHEMBL6087845 0.81 PDGFRB (0.43) ALKCHEK1FLT3KDRPDGFRB
SCHEMBL6099515 0.81 PDGFRB (0.43) ALKCHEK1FLT3KDRPDGFRB
SCHEMBL6087837 0.81 PDGFRB (0.43) ALKCHEK1FLT3KDRPDGFRB

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