SCHEMBL6090827

SCHEMBL6090827

Cc1[nH]c(C=C2C(=O)NN=C2c2cnccn2)c(-c2ncccn2)c1CNC1CC1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.53
CHEK1 O14757 2/20 0.53

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
SCHEMBL6092037 0.93 KDR (0.56) KDRCHEK1
SCHEMBL6089821 0.92 KDR (0.54) KDRCHEK1
SCHEMBL6089883 0.92 KDR (0.54) KDRCHEK1
SCHEMBL6093471 0.87 KDR (0.49) KDRCHEK1
SCHEMBL6090162 0.87 KDR (0.58) KDRCHEK1
SCHEMBL6089598 0.86 KDR (0.50) KDRCHEK1
SCHEMBL6089327 0.85 KDR (0.56) KDRCHEK1
SCHEMBL6089348 0.85 KDR (0.56) KDRCHEK1
SCHEMBL6091265 0.84 KDR (0.57) KDRCHEK1
SCHEMBL6091290 0.84 KDR (0.57) 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