SCHEMBL5315698

SCHEMBL5315698

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LCK P06239 8/20 0.38
IRAK4 Q9NWZ3 1/20 0.36
TYK2 P29597 2/20 0.35
EGFR P00533 1/20 0.33
ROCK2 O75116 1/20 0.33
CSNK1D P48730 1/20 0.32
RAF1 P04049 1/20 0.32
BRAF P15056 1/20 0.32
HSD17B10 Q99714 1/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL5312793 0.94 LCK (0.38) LCKIRAK4EGFRROCK2CSNK1D
SCHEMBL5312781 0.91 LCK (0.39) LCKIRAK4TYK2HSD17B10MAPT
SCHEMBL5315703 0.81 LCK (0.40) LCKIRAK4TYK2ROCK2CSNK1D
SCHEMBL5314681 0.81 LCK (0.41) LCKROCK2
SCHEMBL14531398 0.80 LCK (0.41) LCKIRAK4TYK2ROCK2RAF1
SCHEMBL5313953 0.79 KDR (0.51) LCKIRAK4ROCK2
SCHEMBL5314747 0.78 LCK (0.49) LCKROCK2ALDH1A1
SCHEMBL5314803 0.77 LCK (0.40) LCKROCK2CSNK1DMAPTMEN1
SCHEMBL5315254 0.77 MAPT (0.42) LCKHSD17B10MAPTKDM4EMEN1
SCHEMBL5314211 0.76 HDAC1 (0.41) LCKTYK2ROCK2ALDH1A1HPGD

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