SCHEMBL6089550

SCHEMBL6089550

Cc1[nH]c(/C=C2/C(=O)NN=C2c2ccno2)c(C)c1CN1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.41
CHEK1 O14757 3/20 0.41
FGFR1 P11362 4/20 0.37
PDGFRB P09619 3/20 0.37
KMT2A Q03164 3/20 0.36
HSD17B10 Q99714 3/20 0.36
MEN1 O00255 2/20 0.34
CSF1R P07333 4/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
TLK2 Q86UE8 1/20 0.33
POLB P06746 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 1/20 0.32
AURKA O14965 2/20 0.32
RET P07949 2/20 0.32
FLT1 P17948 2/20 0.32
FLT3 P36888 2/20 0.32
MAP4K2 Q12851 2/20 0.32
STK3 Q13188 2/20 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
SCHEMBL6089545 1.00 KDR (0.41) KDRCHEK1FGFR1PDGFRBKMT2A
SCHEMBL6091046 0.92 KDR (0.40) KDRCHEK1FGFR1PDGFRBHSD17B10
SCHEMBL6091053 0.92 KDR (0.40) KDRCHEK1FGFR1PDGFRBHSD17B10
SCHEMBL6091067 0.85 KDR (0.41) KDRCHEK1FGFR1PDGFRBKMT2A
SCHEMBL6091062 0.85 KDR (0.41) KDRCHEK1FGFR1PDGFRBKMT2A
SCHEMBL6091540 0.84 KDR (0.41) KDRCHEK1FGFR1PDGFRBKMT2A
SCHEMBL6091544 0.84 KDR (0.41) KDRCHEK1FGFR1PDGFRBKMT2A
SCHEMBL6089217 0.82 KDR (0.46) KDRCHEK1FGFR1PDGFRBCSF1R
SCHEMBL6089210 0.82 KDR (0.46) KDRCHEK1FGFR1PDGFRBCSF1R
SCHEMBL6091770 0.82 SRC (0.43) KDRFGFR1PDGFRBALDH1A1KDM4E

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