SCHEMBL6090253

SCHEMBL6090253

Cc1[nH]c(/C=C2/C(=O)NN=C2c2ccnnc2)c(C(C)C)c1CCNC1CC1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.37
CHEK1 O14757 3/20 0.37

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
SCHEMBL6090258 1.00 KDR (0.37) KDRCHEK1
SCHEMBL6090399 0.90 KDR (0.46) KDRCHEK1
SCHEMBL6090391 0.90 KDR (0.46) KDRCHEK1
SCHEMBL6090292 0.88 KDR (0.38) KDRCHEK1
SCHEMBL6091433 0.88 KDR (0.38) KDRCHEK1
SCHEMBL6090559 0.85 KDR (0.38) KDRCHEK1
SCHEMBL6090574 0.85 KDR (0.38) KDRCHEK1
SCHEMBL6089415 0.84 KDR (0.55) KDRCHEK1
SCHEMBL6090776 0.84 KDR (0.38) KDRCHEK1
SCHEMBL6090773 0.84 KDR (0.38) 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