SCHEMBL5311889

SCHEMBL5311889

Cc1ccc(N(C)c2ccc3nc(Nc4cc(CN5CCN(CCO)CC5)ccn4)sc3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 6/20 0.44
KDR P35968 11/20 0.41
LCK P06239 2/20 0.40
CCNT1 O60563 1/20 0.35
FLT3 P36888 1/20 0.35
CDK9 P50750 1/20 0.35
IKBKE Q14164 1/20 0.35
RPS6KA6 Q9UK32 1/20 0.35

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
SCHEMBL14530647 0.93 KDR (0.41) TBK1KDRLCK
SCHEMBL14530649 0.91 KDR (0.46) TBK1KDRLCKCCNT1FLT3
SCHEMBL5313606 0.89 KDR (0.53) TBK1KDRLCKCCNT1FLT3
SCHEMBL5316940 0.89 KDR (0.42) TBK1KDRLCKCCNT1FLT3
SCHEMBL5310327 0.89 KDR (0.53) TBK1KDRLCKCCNT1FLT3
SCHEMBL5313989 0.89 KDR (0.44) TBK1KDRLCKCCNT1FLT3
SCHEMBL5313128 0.88 KDR (0.45) TBK1KDRLCKCCNT1FLT3
SCHEMBL5310867 0.88 LCK (0.41) TBK1KDRLCKCCNT1FLT3
SCHEMBL5310872 0.88 KDR (0.40) TBK1KDRLCKCCNT1FLT3
SCHEMBL14530996 0.88 KDR (0.39) TBK1KDRLCKIKBKE

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 3 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
WO-2007058482-A1 NOVEL INHIBITORS OF PROTEIN KINASE LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO disclosed