SCHEMBL6100757

SCHEMBL6100757

Cc1[nH]c(/C=C2/C(=O)NN=C2c2ccncn2)c(C(C)C)c1CN1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.41
CHEK1 O14757 3/20 0.41
KMT2A Q03164 3/20 0.32
HSD17B10 Q99714 2/20 0.32
POLB P06746 2/20 0.31
MEN1 O00255 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
PDGFRB P09619 1/20 0.30
FGFR1 P11362 1/20 0.30

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
SCHEMBL6100764 1.00 KDR (0.41) KDRCHEK1KMT2AHSD17B10POLB
SCHEMBL6088564 0.91 KDR (0.41) KDRCHEK1PDGFRBFGFR1
SCHEMBL6088557 0.91 KDR (0.41) KDRCHEK1PDGFRBFGFR1
SCHEMBL6089808 0.89 KDR (0.40) KDRCHEK1PDGFRBFGFR1
SCHEMBL6089816 0.89 KDR (0.40) KDRCHEK1PDGFRBFGFR1
SCHEMBL6100497 0.87 KDR (0.55) KDRCHEK1KMT2AHSD17B10
SCHEMBL6100513 0.87 KDR (0.55) KDRCHEK1KMT2AHSD17B10
SCHEMBL6099584 0.85 KDR (0.38) KDRCHEK1KMT2AHSD17B10POLB
SCHEMBL6099578 0.85 KDR (0.38) KDRCHEK1KMT2AHSD17B10POLB
SCHEMBL6101240 0.85 KDR (0.38) KDRCHEK1KMT2AHSD17B10POLB

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