SCHEMBL5310797

SCHEMBL5310797

Cc1ccc(N(C)c2ccc3nc(Nc4cc(CC(=O)NCCc5nc(C)oc5C)ccn4)sc3n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LCK P06239 4/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RXFP1 Q9HBX9 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.30
NR3C2 P08235 1/20 0.30
KDR P35968 2/20 0.30
POLB P06746 2/20 0.30
MAPT P10636 2/20 0.30
WNT3A P56704 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL5311989 0.89 LCK (0.37) LCKMEN1KMT2AIRAK4KDR
SCHEMBL5314725 0.87 LCK (0.33) LCK
SCHEMBL5312823 0.86 LCK (0.35) LCKMEN1KMT2AIRAK4KDR
SCHEMBL5314719 0.86 ALDH1A1 (0.35) LCKMEN1KMT2AIRAK4KDR
SCHEMBL5312890 0.85 LCK (0.38) LCKMEN1KMT2AIRAK4NR3C2
SCHEMBL5310041 0.83 POLB (0.48) LCKMEN1KMT2AKDRPOLB
SCHEMBL5311529 0.83 LCK (0.39) LCKIRAK4NR3C2KDRMAPT
SCHEMBL14530871 0.83 LCK (0.39) LCKMEN1KMT2AIRAK4NR3C2
SCHEMBL5312732 0.82 LCK (0.37) LCKMEN1KMT2ARXFP1IRAK4
SCHEMBL5312806 0.81 LCK (0.39) LCKMEN1KMT2AIRAK4NR3C2

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