SCHEMBL6088263

SCHEMBL6088263

Cc1cc(C)c(/C=C2/C(=O)NN=C2c2nc3ccccc3s2)[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.64
RET P07949 7/20 0.46
FLT3 P36888 3/20 0.46
ALK Q9UM73 3/20 0.46
CSF1R P07333 2/20 0.46
FGFR1 P11362 2/20 0.46
SRC P12931 2/20 0.46
FLT1 P17948 2/20 0.46
FGFR3 P22607 2/20 0.46
MAPK1 P28482 2/20 0.46
FLT4 P35916 2/20 0.46
PDGFRB P09619 2/20 0.46
ABL1 P00519 2/20 0.46
TP53 P04637 2/20 0.46
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
PDPK1 O15530 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
GMNN O75496 1/20 0.46

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
SCHEMBL6088266 1.00 KDR (0.64) KDRRETFLT3ALKCSF1R
SCHEMBL17480311 0.79 RET (0.60) KDRRETFLT3ALKCSF1R
SCHEMBL6091881 0.79 ILK (0.39) KDRTP53LMNANPSR1PDPK1
SCHEMBL6091883 0.79 ILK (0.39) KDRTP53LMNANPSR1PDPK1
SCHEMBL6090112 0.77 KDR (0.71) KDRRETFLT3ALKCSF1R
SCHEMBL6090121 0.77 KDR (0.71) KDRRETFLT3ALKCSF1R
SCHEMBL6088603 0.74 KDR (0.67) KDRRETFLT3ALKCSF1R
SCHEMBL6088608 0.74 KDR (0.67) KDRRETFLT3ALKCSF1R
SCHEMBL6855224 0.74 KDR (1.00) KDRRETFLT3ALKCSF1R
SCHEMBL6858024 0.73 KDR (0.65) KDRRETFLT3ALKCSF1R

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