SCHEMBL5334772

SCHEMBL5334772

CN(C)C(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(N(C)c5ccc(Cl)cc5)nc4s3)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.55
TBK1 Q9UHD2 11/20 0.44
LCK P06239 2/20 0.44
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
WNK1 Q9H4A3 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
SCHEMBL5311426 0.94 KDR (0.52) KDRTBK1LCKCCNT1FLT3
SCHEMBL5331505 0.92 KDR (0.55) KDRTBK1LCKCCNT1FLT3
SCHEMBL5339092 0.92 KDR (0.56) KDRTBK1LCKCCNT1FLT3
SCHEMBL5379687 0.88 LCK (0.43) KDRTBK1LCKCCNT1FLT3
SCHEMBL14531020 0.87 LCK (0.49) KDRLCK
SCHEMBL5310327 0.87 KDR (0.53) KDRTBK1LCKCCNT1FLT3
SCHEMBL5312848 0.87 KDR (0.51) KDRTBK1LCKCCNT1FLT3
SCHEMBL5334766 0.86 KDR (0.55) KDRTBK1LCKWNK1
SCHEMBL5313606 0.85 KDR (0.53) KDRTBK1LCKCCNT1FLT3
SCHEMBL5311520 0.85 KDR (0.53) KDRTBK1LCKCCNT1FLT3

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