SCHEMBL6089490

SCHEMBL6089490

Cc1[nH]c(C=C2C(=O)NN=C2c2cnccn2)c(C(C)C)c1CN(C)C

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.61
CHEK1 O14757 3/20 0.61

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
SCHEMBL6089119 0.92 KDR (0.69) KDRCHEK1
SCHEMBL6089129 0.92 KDR (0.69) KDRCHEK1
SCHEMBL6091226 0.90 KDR (0.62) KDRCHEK1
SCHEMBL6091244 0.90 KDR (0.62) KDRCHEK1
SCHEMBL6090076 0.88 KDR (0.74) KDRCHEK1
SCHEMBL6090086 0.88 KDR (0.74) KDRCHEK1
SCHEMBL6100513 0.84 KDR (0.55) KDRCHEK1
SCHEMBL6100497 0.84 KDR (0.55) KDRCHEK1
SCHEMBL6089415 0.82 KDR (0.55) KDRCHEK1
SCHEMBL6089503 0.82 KDR (0.55) 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