SCHEMBL5314663

SCHEMBL5314663

CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(NCc5ccc(Cl)cc5F)nc4s3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.49
BDKRB1 P46663 1/20 0.45
TBK1 Q9UHD2 11/20 0.42
LCK P06239 2/20 0.42

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
SCHEMBL5379811 0.93 KDR (0.51) KDRBDKRB1TBK1LCK
SCHEMBL5311424 0.90 KDR (0.53) KDRTBK1LCK
SCHEMBL5313599 0.88 KDR (0.52) KDRTBK1LCK
SCHEMBL5310881 0.86 KDR (0.53) KDRTBK1LCK
SCHEMBL5335398 0.85 KDR (0.52) KDRBDKRB1TBK1LCK
SCHEMBL5314669 0.83 BDKRB1 (0.43) KDRBDKRB1
SCHEMBL5334766 0.82 KDR (0.55) KDRTBK1LCK
SCHEMBL5336891 0.79 KDR (0.55) KDRTBK1LCK
SCHEMBL5311426 0.79 KDR (0.52) KDRTBK1LCK
SCHEMBL5313051 0.79 KDR (0.46) 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 2 patents. 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 claimed
WO-2007058482-A1 NOVEL INHIBITORS OF PROTEIN KINASE LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO disclosed