SCHEMBL6089313

SCHEMBL6089313

Cc1[nH]c(/C=C2/C(=O)NN=C2OC(C)C)c(C)c1CN1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.41
HSD17B10 Q99714 1/20 0.37
KDR P35968 8/20 0.35
FGFR1 P11362 5/20 0.35
PDGFRB P09619 4/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PDE10A Q9Y233 1/20 0.34
MET P08581 2/20 0.33
CSF1R P07333 3/20 0.33
LCK P06239 3/20 0.33
FYN P06241 3/20 0.33
YES1 P07947 3/20 0.33
SRC P12931 3/20 0.33
TLK2 Q86UE8 2/20 0.33
RIOK2 Q9BVS4 2/20 0.33
TLK1 Q9UKI8 2/20 0.33
FLT1 P17948 2/20 0.33
KIT P10721 2/20 0.33
BMPR1B O00238 1/20 0.33

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
SCHEMBL6089318 1.00 CHEK1 (0.41) CHEK1HSD17B10KDRFGFR1PDGFRB
SCHEMBL6090807 0.87 KDM4E (0.43) CHEK1HSD17B10KDRFGFR1PDGFRB
SCHEMBL6090811 0.87 KDM4E (0.43) CHEK1HSD17B10KDRFGFR1PDGFRB
SCHEMBL6089457 0.81 SRC (0.51) HSD17B10KDRFGFR1PDGFRBKDM4E
SCHEMBL6089454 0.81 SRC (0.51) HSD17B10KDRFGFR1PDGFRBKDM4E
SCHEMBL6089728 0.81 CHEK1 (0.48) CHEK1KDRFGFR1PDGFRBMET
SCHEMBL6089734 0.81 CHEK1 (0.48) CHEK1KDRFGFR1PDGFRBMET
SCHEMBL6091725 0.80 CHEK1 (0.42) CHEK1HSD17B10KDRFGFR1PDGFRB
SCHEMBL6091728 0.80 CHEK1 (0.42) CHEK1HSD17B10KDRFGFR1PDGFRB
SCHEMBL6089109 0.79 CHEK1 (0.46) CHEK1KDRFGFR1PDGFRBMET

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