SCHEMBL6092356

SCHEMBL6092356

Cc1[nH]c(C=C2C(=O)NN=C2c2cnccn2)c(C2CC2)c1CCCCNC1CCC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.53
CHEK1 O14757 2/20 0.53
HRH4 Q9H3N8 6/20 0.32
HRH3 Q9Y5N1 6/20 0.32
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 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
SCHEMBL6092342 1.00 KDR (0.53) KDRCHEK1HRH4HRH3LMNA
SCHEMBL6090444 0.88 KDR (0.39) KDRCHEK1LMNASMN1; SMN2
SCHEMBL6090440 0.88 KDR (0.39) KDRCHEK1LMNASMN1; SMN2
SCHEMBL6088968 0.87 KDR (0.56) KDRCHEK1
SCHEMBL6088983 0.87 KDR (0.56) KDRCHEK1
SCHEMBL6089412 0.87 KDR (0.37) KDRCHEK1LMNASMN1; SMN2
SCHEMBL6089392 0.87 KDR (0.37) KDRCHEK1LMNASMN1; SMN2
SCHEMBL6091241 0.87 KDR (0.57) KDRCHEK1
SCHEMBL6091225 0.87 KDR (0.57) KDRCHEK1
SCHEMBL6092081 0.86 KDR (0.37) KDRCHEK1LMNASMN1; SMN2

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