SCHEMBL5312781

SCHEMBL5312781

COC(=O)c1cc(NCc2ccc3nc(Nc4cc(CO)ccn4)sc3n2)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 6/20 0.39
TYK2 P29597 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AURKA O14965 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CDK3 Q00526 1/20 0.33
MAPT P10636 3/20 0.33
POLB P06746 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL5315698 0.91 LCK (0.38) LCKTYK2IRAK4MEN1KMT2A
SCHEMBL14531398 0.88 LCK (0.41) LCKTYK2IRAK4MEN1KMT2A
SCHEMBL5312793 0.85 LCK (0.38) LCKIRAK4MEN1KMT2AKDM4E
SCHEMBL5312683 0.81 LCK (0.39) LCKTYK2IRAK4ALDH1A1CA12
SCHEMBL5315254 0.80 MAPT (0.42) LCKMEN1KMT2AKDM4EALDH1A1
SCHEMBL5313953 0.79 KDR (0.51) LCKIRAK4
SCHEMBL5314211 0.78 HDAC1 (0.41) LCKTYK2ALDH1A1SMN1; SMN2HPGD
SCHEMBL5314681 0.75 LCK (0.41) LCK
SCHEMBL12482903 0.72 MEN1 (0.47) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL5315703 0.72 LCK (0.40) LCKTYK2IRAK4SMN1; SMN2MAPT

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