SCHEMBL6091199

SCHEMBL6091199

CCN(CC)CCc1c(C2CC2)[nH]c(C=C2C(=O)NN=C2c2cnccn2)c1C1CC1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.67
CHEK1 O14757 1/20 0.67

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
SCHEMBL6091184 1.00 KDR (0.67) KDRCHEK1
SCHEMBL6092878 0.88 KDR (0.75) KDRCHEK1
SCHEMBL6092866 0.88 KDR (0.75) KDRCHEK1
SCHEMBL6090376 0.88 KDR (0.75) KDRCHEK1
SCHEMBL6090356 0.88 KDR (0.75) KDRCHEK1
SCHEMBL6090593 0.88 KDR (0.74) KDRCHEK1
SCHEMBL6090579 0.88 KDR (0.74) KDRCHEK1
SCHEMBL6090252 0.87 KDR (0.71) KDRCHEK1
SCHEMBL6090267 0.87 KDR (0.71) KDRCHEK1
SCHEMBL6092241 0.86 KDR (0.49) 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 1 patent. 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