SCHEMBL6092498

SCHEMBL6092498

CCNCCc1c(C)[nH]c(C=C2C(=O)NN=C2c2cnccn2)c1C1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.56
CHEK1 O14757 2/20 0.56

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
SCHEMBL6092482 1.00 KDR (0.56) KDRCHEK1
SCHEMBL6089005 0.99 KDR (0.55) KDRCHEK1
SCHEMBL6088993 0.99 KDR (0.55) KDRCHEK1
SCHEMBL6088983 0.98 KDR (0.56) KDRCHEK1
SCHEMBL6088968 0.98 KDR (0.56) KDRCHEK1
SCHEMBL6087958 0.92 KDR (0.56) KDRCHEK1
SCHEMBL6088681 0.91 KDR (0.55) KDRCHEK1
SCHEMBL6091422 0.90 KDR (0.56) KDRCHEK1
SCHEMBL6092230 0.88 KDR (0.49) KDRCHEK1
SCHEMBL6092241 0.88 KDR (0.49) 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