SCHEMBL5314538

SCHEMBL5314538

Cc1ccc(N(C)c2ccc3nc(Nc4cc(CCN5CCN(C(=O)CO)CC5)ccn4)sc3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.44
RXFP1 Q9HBX9 1/20 0.37
TBK1 Q9UHD2 10/20 0.36
CCNT1 O60563 2/20 0.36
FLT3 P36888 2/20 0.36
CDK9 P50750 2/20 0.36
IKBKE Q14164 2/20 0.36
RPS6KA6 Q9UK32 2/20 0.36
LCK P06239 1/20 0.35
STK17A Q9UEE5 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
SCHEMBL5333098 0.93 KDR (0.44) KDRTBK1CCNT1FLT3CDK9
SCHEMBL5313606 0.93 KDR (0.53) KDRTBK1CCNT1FLT3CDK9
SCHEMBL5335564 0.90 TBK1 (0.41) KDRTBK1CCNT1FLT3CDK9
SCHEMBL5312891 0.88 KDR (0.44) KDRTBK1CCNT1FLT3CDK9
SCHEMBL5314698 0.88 KDR (0.43) KDRTBK1CCNT1FLT3CDK9
SCHEMBL5314466 0.87 LCK (0.35) KDRTBK1LCK
SCHEMBL5329362 0.87 KDR (0.40) KDRTBK1CCNT1FLT3CDK9
SCHEMBL5313527 0.86 KDR (0.37) KDRTBK1CCNT1FLT3CDK9
SCHEMBL5314542 0.85 LCK (0.35) KDRLCK
SCHEMBL5309897 0.85 KDR (0.41) 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 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