SCHEMBL5335398

SCHEMBL5335398

CN(C)C(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(NCc5ccc(F)cc5F)nc4s3)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.52
TBK1 Q9UHD2 12/20 0.42
BDKRB1 P46663 1/20 0.41
CCNT1 O60563 1/20 0.40
FLT3 P36888 1/20 0.40
CDK9 P50750 1/20 0.40
IKBKE Q14164 1/20 0.40
RPS6KA6 Q9UK32 1/20 0.40
LCK P06239 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
SCHEMBL5379811 0.93 KDR (0.51) KDRTBK1BDKRB1LCK
SCHEMBL5336891 0.91 KDR (0.55) KDRTBK1CCNT1FLT3CDK9
SCHEMBL5312929 0.91 KDR (0.42) KDRBDKRB1
SCHEMBL5314663 0.85 KDR (0.49) KDRTBK1BDKRB1LCK
SCHEMBL5334766 0.85 KDR (0.55) KDRTBK1LCK
SCHEMBL5335400 0.85 KDR (0.53) KDRTBK1CCNT1FLT3CDK9
SCHEMBL5310881 0.83 KDR (0.53) KDRTBK1LCK
SCHEMBL5314669 0.83 BDKRB1 (0.43) KDRBDKRB1
SCHEMBL5331505 0.82 KDR (0.55) KDRTBK1CCNT1FLT3CDK9
SCHEMBL5313051 0.82 KDR (0.46) KDRTBK1CCNT1FLT3CDK9

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