SCHEMBL27348247

SCHEMBL27348247

N#CC(C#N)=C1C(=C2c3cccnc3-c3ncccc32)C(=O)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.46
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46
PTPN13 Q12923 1/20 0.46
TDP2 O95551 3/20 0.46
NSD2 O96028 3/20 0.46
PAX8 Q06710 2/20 0.46
ABL1 P00519 1/20 0.46
PLCG1 P19174 1/20 0.46
CES1 P23141 1/20 0.46
RIN1 Q13671 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
BLM P54132 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 3/20 0.40
CDC25B P30305 4/20 0.39
S100A4 P26447 3/20 0.39

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
SCHEMBL27346567 0.90 PDK2 (0.41) PTPRCCTSLCTSSPTPN13TDP2
SCHEMBL27347125 0.88 PTPRC (0.38) PTPRCCTSLCTSSPTPN13TDP2
SCHEMBL27346319 0.86 USP8 (0.40) PTPRCCTSLCTSSPTPN13TDP2
SCHEMBL27347678 0.85 GAA (0.41) PTPRCCTSLCTSSPTPN13TDP2
SCHEMBL27349052 0.84 PTPRC (0.42) PTPRCCTSLCTSSPTPN13TDP2
SCHEMBL27346696 0.82 PTPRC (0.41) PTPRCCTSLCTSSPTPN13TDP2
SCHEMBL27346318 0.82 TDP2 (0.40) PTPRCCTSLCTSSPTPN13TDP2
SCHEMBL27346320 0.82 TDP2 (0.40) PTPRCCTSLCTSSPTPN13TDP2
SCHEMBL13302011 0.80 TDP2 (0.58) PTPRCCTSLCTSSPTPN13TDP2
SCHEMBL27347435 0.80 TDP2 (0.40) PTPRCCTSLCTSSPTPN13TDP2

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-2024044937-A1 ORGANIC HOLE INJECTION MATERIAL AND USE THEREOF 北京大学深圳研究生院 2024-03-07 WO disclosed