SCHEMBL14530871

SCHEMBL14530871

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 7/20 0.39
SYK P43405 1/20 0.38
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRA6 Q16445 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 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
SCHEMBL5311529 0.93 LCK (0.39) LCKRXRARXRBIRAK4MAPT
SCHEMBL5312036 0.91 RXRA (0.39) LCKSYKRXRARXRBIRAK4
SCHEMBL5312890 0.91 LCK (0.38) LCKIRAK4MEN1MAPTKMT2A
SCHEMBL5310589 0.90 LCK (0.38) LCKRXRARXRBIRAK4MAPT
SCHEMBL5313272 0.90 LCK (0.38) LCKSYKIRAK4MEN1MAPT
SCHEMBL5316887 0.89 LCK (0.38) LCKIRAK4MAPTNR3C2KDM4E
SCHEMBL5312746 0.88 LCK (0.37) LCKRXRARXRBIRAK4MAPT
SCHEMBL5312732 0.88 LCK (0.37) LCKSYKIRAK4MEN1KMT2A
SCHEMBL5311989 0.88 LCK (0.37) LCKIRAK4MEN1MAPTKMT2A
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 disclosed