SCHEMBL6091252

SCHEMBL6091252

Cc1[nH]c(/C=C2/C(=O)NN=C2C2CC2)c(C(C)C)c1CCCCN1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
KDR P35968 1/20 0.36
CHEK1 O14757 1/20 0.36
HRH3 Q9Y5N1 3/20 0.31

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
SCHEMBL6091257 1.00 PDGFRB (0.36) PDGFRBFGFR1KDRCHEK1HRH3
SCHEMBL6088656 0.96 PDGFRB (0.39) PDGFRBFGFR1KDRCHEK1HRH3
SCHEMBL6088659 0.96 PDGFRB (0.39) PDGFRBFGFR1KDRCHEK1HRH3
SCHEMBL6099985 0.88 CHEK1 (0.35) CHEK1
SCHEMBL6099989 0.88 CHEK1 (0.35) CHEK1
SCHEMBL6089557 0.87 CHEK1 (0.39) PDGFRBFGFR1KDRCHEK1HRH3
SCHEMBL6089549 0.87 CHEK1 (0.39) PDGFRBFGFR1KDRCHEK1HRH3
SCHEMBL6090273 0.83 CHEK1 (0.36) KDRCHEK1
SCHEMBL6090280 0.83 CHEK1 (0.36) KDRCHEK1
SCHEMBL6090254 0.81 KDR (0.39) PDGFRBFGFR1KDRCHEK1

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