SCHEMBL6089284

SCHEMBL6089284

CCNCCc1c(C)[nH]c(/C=C2/C(=O)NN=C2c2cnccn2)c1CC

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.62
CHEK1 O14757 2/20 0.62
PDGFRB P09619 1/20 0.33

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
SCHEMBL6089298 1.00 KDR (0.62) KDRCHEK1PDGFRB
SCHEMBL6088762 0.92 KDR (0.74) KDRCHEK1PDGFRB
SCHEMBL6088743 0.92 KDR (0.74) KDRCHEK1PDGFRB
SCHEMBL6092155 0.91 KDR (0.62) KDRCHEK1
SCHEMBL6092125 0.91 KDR (0.62) KDRCHEK1
SCHEMBL6092401 0.91 KDR (0.61) KDRCHEK1PDGFRB
SCHEMBL6091460 0.88 KDR (0.59) KDRCHEK1
SCHEMBL6091452 0.88 KDR (0.59) KDRCHEK1
SCHEMBL6088984 0.88 KDR (0.65) KDRCHEK1PDGFRB
SCHEMBL6088998 0.88 KDR (0.65) KDRCHEK1PDGFRB

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