SCHEMBL6089687

SCHEMBL6089687

O=C1NN=C(c2cnccn2)/C1=C/c1ccc(C(F)(F)F)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.54
CHEK1 O14757 1/20 0.45

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
SCHEMBL6089692 1.00 KDR (0.54) KDRCHEK1
SCHEMBL6089300 0.82 KDR (0.57) KDRCHEK1
SCHEMBL6089311 0.82 KDR (0.57) KDRCHEK1
SCHEMBL6090385 0.82 ALK (0.41) KDR
SCHEMBL6090381 0.82 ALK (0.41) KDR
SCHEMBL6091863 0.78 KDR (0.31) KDR
SCHEMBL6091867 0.78 KDR (0.31) KDR
SCHEMBL6090173 0.76 KDR (0.55) KDRCHEK1
SCHEMBL6090165 0.76 KDR (0.55) KDRCHEK1
SCHEMBL6088538 0.76 KDR (0.33) KDR

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