SCHEMBL5329616

SCHEMBL5329616

Cc1ccc(N(C)c2ccc3nc(Nc4cc(CC(=O)N5C[CH]CC5)ccn4)sc3n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.35
LCK P06239 5/20 0.35
MAP3K12 Q12852 1/20 0.34
ECE2 P0DPD6 1/20 0.32
TBK1 Q9UHD2 4/20 0.31
CCNT1 O60563 1/20 0.31
FLT3 P36888 1/20 0.31
CDK9 P50750 1/20 0.31
IKBKE Q14164 1/20 0.31
RPS6KA6 Q9UK32 1/20 0.31
NR3C2 P08235 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
BRAF P15056 1/20 0.31

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
SCHEMBL5312193 0.91 ECE2 (0.42) KDRLCKMAP3K12ECE2TBK1
SCHEMBL5312031 0.90 ECE2 (0.41) KDRLCKMAP3K12ECE2TBK1
SCHEMBL5309726 0.89 KDR (0.36) KDRLCKECE2TBK1CCNT1
SCHEMBL5313527 0.89 KDR (0.37) KDRLCKECE2TBK1CCNT1
SCHEMBL5309897 0.89 KDR (0.41) KDRLCKECE2TBK1CCNT1
SCHEMBL5309998 0.89 LCK (0.41) KDRLCKECE2TBK1
SCHEMBL5329362 0.88 KDR (0.40) KDRLCKTBK1CCNT1FLT3
SCHEMBL5309914 0.88 LCK (0.35) KDRLCKMAP3K12CCNT1CDK9
SCHEMBL5314105 0.87 KDR (0.38) KDRLCKECE2TBK1CCNT1
SCHEMBL5333672 0.86 MAP3K12 (0.37) KDRLCKMAP3K12TBK1

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