SCHEMBL8469307

SCHEMBL8469307

CCN(CC)c1ccc2nc(N)c3cnc(-c4c(C)cccc4C)n3c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.44
TLR7 Q9NYK1 5/20 0.40
S100B P04271 1/20 0.39
TERT O14746 1/20 0.37
MAPT P10636 3/20 0.36
NPC1 O15118 4/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
RAB9A P51151 3/20 0.36
NLRP3 Q96P20 2/20 0.36
SLC2A1 P11166 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
USP2 O75604 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
THRB P10828 1/20 0.34
TNNI3 P19429 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL8472487 0.87 LCK (0.41) LCKTLR7TERTMAPTNPC1
SCHEMBL7983002 0.74 LCK (0.46) LCKTLR7NPC1RAB9AMEN1
SCHEMBL7983062 0.73 LCK (0.50) LCKTLR7
SCHEMBL7979955 0.72 LCK (0.54) LCK
SCHEMBL7983558 0.71 LCK (0.39) LCKTLR7
SCHEMBL7970134 0.70 LCK (0.43) LCKTLR7MAPTMEN1KMT2A
SCHEMBL18818643 0.70 TERT (0.53) LCKS100BTERTMAPTNPC1
SCHEMBL7970474 0.68 LCK (0.39) LCK
SCHEMBL7969762 0.68 LCK (0.46) LCKTLR7NPC1RAB9AMEN1
SCHEMBL18805386 0.67 TERT (0.46) LCKS100BTERTMAPTNPC1

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-1999009845-A1 IMIDAZOQUINOXALINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-04 WO claimed