SCHEMBL29682160

SCHEMBL29682160

Nc1nc2ccc(Br)c(O)c2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
PIK3CA P42336 2/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
RAB9A P51151 3/20 0.37
AXL P30530 1/20 0.37
GFER P55789 1/20 0.37
ASH1L Q9NR48 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
NSD1 Q96L73 1/20 0.35
NPC1 O15118 2/20 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
SCHEMBL25338656 1.00 GAA (0.44) GAAHTTL3MBTL1MAPTALDH1A1
SCHEMBL8379060 0.81 MAPT (0.45) GAAHTTL3MBTL1MAPTALDH1A1
SCHEMBL3146829 0.78 SMN1; SMN2 (0.44) GAAHTTL3MBTL1MAPTALDH1A1
SCHEMBL12210717 0.78 SMN1; SMN2 (0.43) GAAHTTL3MBTL1MAPTALDH1A1
SCHEMBL3136682 0.78 AXL (0.44) GAAHTTL3MBTL1MAPTALDH1A1
SCHEMBL22993546 0.77 ALDH1A1 (0.55) GAAHTTL3MBTL1MAPTALDH1A1
SCHEMBL27059115 0.75 LDHA (0.40) HTTMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL25339259 0.74 CYP3A4 (0.45) MAPTALDH1A1PIK3CAPIK3CDPIK3CB
SCHEMBL29682132 0.74 CYP3A4 (0.45) MAPTALDH1A1PIK3CAPIK3CDPIK3CB
SCHEMBL1619718 0.73 ASH1L (0.44) GAAHTTL3MBTL1MAPTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116194454-B Pyrimidine-containing nitrogen-containing bicyclic compounds 旭化成制药株式会社 2025-02-18 CN disclosed
WO-2022070289-A1 NITROGEN-CONTAINING BICYCLIC COMPOUND WHICH CONTAINS PYRIMIDINE 旭化成ファーマ株式会社 2022-04-07 WO disclosed