SCHEMBL5311529

SCHEMBL5311529

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LCK P06239 9/20 0.39
NR3C2 P08235 3/20 0.39
IRAK4 Q9NWZ3 1/20 0.35
BRAF P15056 2/20 0.34
RAF1 P04049 1/20 0.34
KDR P35968 2/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32

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
SCHEMBL14530871 0.93 LCK (0.39) LCKNR3C2IRAK4BRAFKDR
SCHEMBL5312890 0.91 LCK (0.38) LCKNR3C2IRAK4BRAFRAF1
SCHEMBL5313272 0.90 LCK (0.38) LCKIRAK4BRAFRAF1KDR
SCHEMBL5316887 0.89 LCK (0.38) LCKNR3C2IRAK4BRAFKDR
SCHEMBL5309927 0.89 LCK (0.36) LCKNR3C2IRAK4BRAFKDR
SCHEMBL5312746 0.88 LCK (0.37) LCKNR3C2IRAK4BRAFRAF1
SCHEMBL5312732 0.88 LCK (0.37) LCKIRAK4KDRALDH1A1RAB9A
SCHEMBL5311989 0.88 LCK (0.37) LCKIRAK4KDRALDH1A1RAB9A
SCHEMBL5312036 0.88 RXRA (0.39) LCKNR3C2IRAK4BRAFKDR
SCHEMBL5312193 0.87 ECE2 (0.42) LCKIRAK4KDR

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 claimed