SCHEMBL6090240

SCHEMBL6090240

Cc1[nH]c(/C=C2/C(=O)NN=C2c2ncccn2)c(C(C)C)c1CCCCN1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.39
PDGFRB P09619 1/20 0.39
FGFR1 P11362 1/20 0.39
CHEK1 O14757 2/20 0.37
HRH1 P35367 1/20 0.30
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 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
SCHEMBL6090254 1.00 KDR (0.39) KDRPDGFRBFGFR1CHEK1HRH1
SCHEMBL6089684 0.96 KDR (0.41) KDRPDGFRBFGFR1CHEK1
SCHEMBL6088165 0.93 KDR (0.37) KDRPDGFRBFGFR1CHEK1HRH1
SCHEMBL6088180 0.93 KDR (0.37) KDRPDGFRBFGFR1CHEK1HRH1
SCHEMBL6091392 0.89 KDR (0.38) KDRPDGFRBFGFR1CHEK1
SCHEMBL6091384 0.89 KDR (0.38) KDRPDGFRBFGFR1CHEK1
SCHEMBL6101240 0.88 KDR (0.38) KDRPDGFRBFGFR1CHEK1
SCHEMBL6101257 0.88 KDR (0.38) KDRPDGFRBFGFR1CHEK1
SCHEMBL6090228 0.87 KDR (0.53) KDRPDGFRBFGFR1CHEK1
SCHEMBL6089782 0.87 KDR (0.38) KDRPDGFRBFGFR1CHEK1HRH1

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 3 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