SCHEMBL5313599

SCHEMBL5313599

CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(NCc5ccc(F)c(F)c5)nc4s3)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.52
TBK1 Q9UHD2 11/20 0.44
LCK P06239 2/20 0.41
ACHE P22303 1/20 0.39

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
SCHEMBL5310881 0.92 KDR (0.53) KDRTBK1LCKACHE
SCHEMBL5311424 0.91 KDR (0.53) KDRTBK1LCKACHE
SCHEMBL5314663 0.88 KDR (0.49) KDRTBK1LCK
SCHEMBL5379811 0.88 KDR (0.51) KDRTBK1LCK
SCHEMBL5313051 0.85 KDR (0.46) KDRTBK1LCKACHE
SCHEMBL5336891 0.85 KDR (0.55) KDRTBK1LCKACHE
SCHEMBL14530673 0.83 KDR (0.51) KDRTBK1LCK
SCHEMBL5334766 0.83 KDR (0.55) KDRTBK1LCKACHE
SCHEMBL5309404 0.82 MEN1 (0.44) KDRACHE
SCHEMBL5335398 0.81 KDR (0.52) KDRTBK1LCK

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
WO-2007058482-A1 NOVEL INHIBITORS OF PROTEIN KINASE LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO disclosed