SCHEMBL28935795

SCHEMBL28935795

CC(C)(C)OC(=O)N1CCCc2nc(N)ccc2C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.56
ESR2 Q92731 1/20 0.51
MAPT P10636 3/20 0.47
MAPK1 P28482 1/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ADORA1 P30542 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GRAMD1A Q96CP6 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PARP1 P09874 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
MAP4K4 O95819 1/20 0.39
RIPK1 Q13546 1/20 0.39
HDAC1 Q13547 1/20 0.38
AVPR1A P37288 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38

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
SCHEMBL31484210 1.00 NR1H2 (0.56) NR1H2ESR2MAPTMAPK1MEN1
SCHEMBL29508891 0.93 NR1H2 (0.62) NR1H2ESR2MAPTMAPK1ADORA1
SCHEMBL10255757 0.93 NR1H2 (0.62) NR1H2ESR2MAPTMAPK1ADORA1
SCHEMBL21553391 0.91 NR1H2 (0.48) NR1H2ESR2MAPTMEN1KMT2A
SCHEMBL31460221 0.88 ESR2 (0.54) NR1H2ESR2MAPTMAPK1MEN1
SCHEMBL30707038 0.88 ESR2 (0.54) NR1H2ESR2MAPTMAPK1MEN1
SCHEMBL13779817 0.86 NR1H2 (0.52) NR1H2ESR2MAPTMAPK1PARP1
SCHEMBL16691229 0.85 NR1H2 (0.62) NR1H2ESR2MAPTMAPK1ADORA1
SCHEMBL2080340 0.84 NR1H2 (0.56) NR1H2ESR2MAPTADORA1NPC1
SCHEMBL30207688 0.84 NR1H2 (0.56) NR1H2ESR2MAPTADORA1NPC1

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
CN-115611925-A HPK1 inhibitors and uses thereof 轩竹生物科技股份有限公司 2023-01-17 CN disclosed