SCHEMBL6089808

SCHEMBL6089808

Cc1[nH]c(/C=C2/C(=O)NN=C2c2ccncn2)c(C(C)C)c1CCCCN1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.40
CHEK1 O14757 2/20 0.40
PDGFRB P09619 2/20 0.36
FGFR1 P11362 2/20 0.36
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
GSK3B P49841 1/20 0.31
TLK2 Q86UE8 1/20 0.30
HRH1 P35367 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
SCHEMBL6089816 1.00 KDR (0.40) KDRCHEK1PDGFRBFGFR1TLR9
SCHEMBL6088564 0.97 KDR (0.41) KDRCHEK1PDGFRBFGFR1TLR9
SCHEMBL6088557 0.97 KDR (0.41) KDRCHEK1PDGFRBFGFR1TLR9
SCHEMBL6100764 0.89 KDR (0.41) KDRCHEK1PDGFRBFGFR1
SCHEMBL6100757 0.89 KDR (0.41) KDRCHEK1PDGFRBFGFR1
SCHEMBL6090228 0.88 KDR (0.53) KDRCHEK1PDGFRBFGFR1
SCHEMBL6090208 0.88 KDR (0.53) KDRCHEK1PDGFRBFGFR1
SCHEMBL6089772 0.86 KDR (0.38) KDRCHEK1PDGFRBFGFR1HRH1
SCHEMBL6089782 0.86 KDR (0.38) KDRCHEK1PDGFRBFGFR1HRH1
SCHEMBL6090254 0.86 KDR (0.39) KDRCHEK1PDGFRBFGFR1TLR9

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