SCHEMBL5314588

SCHEMBL5314588

CCOC(=O)Cc1ccnc(Nc2nc3ccc(N(C)c4cccc(C(=O)NOC)c4)nc3s2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LCK P06239 10/20 0.41
KDR P35968 3/20 0.38
BRAF P15056 2/20 0.38
HTT P42858 2/20 0.35
MAPK1 P28482 1/20 0.34
CSNK1D P48730 1/20 0.34
SYK P43405 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL5314806 0.92 LCK (0.41) LCKKDRBRAFCSNK1D
SCHEMBL5314751 0.89 LCK (0.50) LCKKDRBRAF
SCHEMBL5314682 0.89 LCK (0.43) LCKKDRBRAF
SCHEMBL5313272 0.85 LCK (0.38) LCKKDRBRAFSYKMEN1
SCHEMBL5312762 0.84 LCK (0.45) LCKKDRBRAF
SCHEMBL5315256 0.83 LCK (0.42) LCKKDRBRAFHTTSYK
SCHEMBL5315162 0.83 KDR (0.51) LCKKDRBRAF
SCHEMBL5313961 0.81 LCK (0.45) LCKKDRBRAF
SCHEMBL5312761 0.79 LCK (0.41) LCKKDRBRAFNPC1RAB9A
SCHEMBL5314220 0.78 LCK (0.41) LCKKDRBRAF

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