SCHEMBL6092455

SCHEMBL6092455

O=C1NN=C(c2cnccn2)C1=Cc1cc2c([nH]1)CCC=C2Cl

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.50
CHEK1 O14757 1/20 0.41

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
SCHEMBL6092446 1.00 KDR (0.50) KDRCHEK1
SCHEMBL6088460 0.79 KDR (0.62) KDRCHEK1
SCHEMBL6089256 0.75 KDR (0.33) KDR
SCHEMBL6089252 0.75 KDR (0.33) KDR
SCHEMBL6089311 0.74 KDR (0.57) KDRCHEK1
SCHEMBL6089300 0.74 KDR (0.57) KDRCHEK1
SCHEMBL6091002 0.73 KDR (0.56) KDRCHEK1
SCHEMBL6091013 0.73 KDR (0.56) KDRCHEK1
SCHEMBL6091496 0.72 KDR (0.52) KDRCHEK1
SCHEMBL6091506 0.72 KDR (0.52) KDRCHEK1

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