SCHEMBL6089514

SCHEMBL6089514

CCNCc1c(C2CC2)[nH]c(C=C2C(=O)NN=C2c2cnccn2)c1C1CC1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.50
CHEK1 O14757 1/20 0.49

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
SCHEMBL6092230 0.91 KDR (0.49) KDRCHEK1
SCHEMBL6092241 0.91 KDR (0.49) KDRCHEK1
SCHEMBL6091487 0.89 KDR (0.48) KDRCHEK1
SCHEMBL6091474 0.89 KDR (0.48) KDRCHEK1
SCHEMBL6087958 0.88 KDR (0.56) KDRCHEK1
SCHEMBL6091422 0.88 KDR (0.56) KDRCHEK1
SCHEMBL6088681 0.87 KDR (0.55) KDRCHEK1
SCHEMBL6091184 0.84 KDR (0.67) KDRCHEK1
SCHEMBL6091199 0.84 KDR (0.67) KDRCHEK1
SCHEMBL6090670 0.83 KDR (0.47) 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
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