SCHEMBL6091390

SCHEMBL6091390

COC(C)N(CCc1c(C)[nH]c(C=C2C(=O)NN=C2c2ccncn2)c1C1CC1)C(C)OC

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.44
CHEK1 O14757 2/20 0.44

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
SCHEMBL6091380 1.00 KDR (0.44) KDRCHEK1
SCHEMBL6091389 0.87 KDR (0.48) KDRCHEK1
SCHEMBL6089180 0.87 KDR (0.41) KDRCHEK1
SCHEMBL6089191 0.87 KDR (0.41) KDRCHEK1
SCHEMBL6089343 0.86 KDR (0.41) KDRCHEK1
SCHEMBL6089351 0.86 KDR (0.41) KDRCHEK1
SCHEMBL6088392 0.86 KDR (0.41) KDRCHEK1
SCHEMBL6088382 0.86 KDR (0.41) KDRCHEK1
SCHEMBL6090340 0.84 KDR (0.41) KDRCHEK1
SCHEMBL6090743 0.84 KDR (0.40) 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 3 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