SCHEMBL6090334

SCHEMBL6090334

CCN(CC)Cc1c(C)[nH]c(C=C2C(=O)NN=C2c2ccncn2)c1C(C)C

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.51
CHEK1 O14757 3/20 0.51

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
SCHEMBL6090326 1.00 KDR (0.51) KDRCHEK1
SCHEMBL6091182 0.89 KDR (0.61) KDRCHEK1
SCHEMBL6091189 0.89 KDR (0.61) KDRCHEK1
SCHEMBL6089119 0.86 KDR (0.69) KDRCHEK1
SCHEMBL6089129 0.86 KDR (0.69) KDRCHEK1
SCHEMBL6087913 0.85 KDR (0.48) KDRCHEK1
SCHEMBL6087910 0.85 KDR (0.48) KDRCHEK1
SCHEMBL6089146 0.84 KDR (0.46) KDRCHEK1
SCHEMBL6089735 0.84 KDR (0.50) KDRCHEK1
SCHEMBL6089151 0.84 KDR (0.46) 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