SCHEMBL6088339

SCHEMBL6088339

Cc1[nH]c(C=C2C(=O)NN=C2c2nccnn2)c(C)c1CCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.52
FGFR1 P11362 12/20 0.52
PDGFRB P09619 11/20 0.52
FLT3 P36888 4/20 0.52
AURKB Q96GD4 4/20 0.52
CHEK1 O14757 3/20 0.52
AURKA O14965 2/20 0.52
RET P07949 2/20 0.52
FLT1 P17948 2/20 0.52
MAP4K2 Q12851 2/20 0.52
STK3 Q13188 2/20 0.52
FLT4 P35916 2/20 0.52
GAK O14976 1/20 0.52
RPS6KA5 O75582 1/20 0.52
RPS6KA4 O75676 1/20 0.52
LATS1 O95835 1/20 0.52
CSNK2A2 P19784 1/20 0.52
MAP2K2 P36507 1/20 0.52
ZAP70 P43403 1/20 0.52
MAP2K1 Q02750 1/20 0.52

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
SCHEMBL6088336 1.00 KDR (0.52) KDRFGFR1PDGFRBFLT3AURKB
SCHEMBL6090172 0.91 KDR (0.58) KDRFGFR1PDGFRBFLT3AURKB
SCHEMBL6090164 0.91 KDR (0.58) KDRFGFR1PDGFRBFLT3AURKB
SCHEMBL6090078 0.83 KDR (0.72) KDRFGFR1PDGFRBFLT3AURKB
SCHEMBL6090361 0.83 KDR (0.56) KDRFGFR1PDGFRBFLT3AURKB
SCHEMBL6088779 0.83 KDR (0.52) KDRFGFR1PDGFRBFLT3AURKB
SCHEMBL6090353 0.83 KDR (0.56) KDRFGFR1PDGFRBFLT3AURKB
SCHEMBL6090088 0.83 KDR (0.72) KDRFGFR1PDGFRBFLT3AURKB
SCHEMBL6088793 0.83 KDR (0.52) KDRFGFR1PDGFRBFLT3AURKB
SCHEMBL6088934 0.82 KDR (0.47) KDRFGFR1PDGFRBFLT3AURKB

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