SCHEMBL6090598

SCHEMBL6090598

CCc1c(C)[nH]c(/C=C2/C(=O)NN=C2c2ccccc2)c1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.60
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
CHEK1 O14757 3/20 0.48
PDGFRB P09619 8/20 0.47
FGFR1 P11362 8/20 0.45
FLT3 P36888 4/20 0.45
RET P07949 3/20 0.45
ALK Q9UM73 3/20 0.45
AURKA O14965 2/20 0.45
FLT1 P17948 2/20 0.45
MAP4K2 Q12851 2/20 0.45
STK3 Q13188 2/20 0.45
AURKB Q96GD4 2/20 0.45
FLT4 P35916 2/20 0.45
GAK O14976 1/20 0.45
RPS6KA5 O75582 1/20 0.45
RPS6KA4 O75676 1/20 0.45
LATS1 O95835 1/20 0.45
CSNK2A2 P19784 1/20 0.45

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
SCHEMBL6090603 1.00 KDR (0.60) KDRALDH1A1LMNACHEK1PDGFRB
SCHEMBL6088554 0.84 KDR (0.57) KDRCHEK1PDGFRBFGFR1FLT3
SCHEMBL6088551 0.84 KDR (0.57) KDRCHEK1PDGFRBFGFR1FLT3
SCHEMBL6091298 0.82 KDR (0.48) KDRCHEK1PDGFRBFGFR1FLT3
SCHEMBL6090651 0.82 KDR (0.46) KDRALDH1A1LMNACHEK1PDGFRB
SCHEMBL6090655 0.82 KDR (0.46) KDRALDH1A1LMNACHEK1PDGFRB
SCHEMBL6091302 0.82 KDR (0.48) KDRCHEK1PDGFRBFGFR1FLT3
SCHEMBL6088882 0.81 CHEK1 (0.48) KDRCHEK1PDGFRBFGFR1FLT3
SCHEMBL6091263 0.80 ABL1 (0.63) KDRALDH1A1LMNAPDGFRBFGFR1
SCHEMBL6091268 0.80 ABL1 (0.63) KDRALDH1A1LMNAPDGFRBFGFR1

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