SCHEMBL25378985

SCHEMBL25378985

COc1nc(N)c(Br)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
NQO2 P16083 1/20 0.34
AURKA O14965 1/20 0.33
TTK P33981 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
CLK4 Q9HAZ1 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
SCHEMBL30558711 1.00 POLB (0.39) POLBL3MBTL1MAPTNPSR1KMT2A
SCHEMBL23832162 0.85 POLB (0.47) POLBL3MBTL1MAPTNPSR1KMT2A
SCHEMBL17450949 0.84 CA2 (0.42) POLBL3MBTL1MAPTNPSR1CA2
SCHEMBL8000890 0.83 POLB (0.36) POLBL3MBTL1MAPTNPSR1KMT2A
SCHEMBL30103969 0.83 POLB (0.50) POLBL3MBTL1MAPTNPSR1NQO2
SCHEMBL16914277 0.82 POLB (0.35) POLBL3MBTL1MAPTNPSR1KMT2A
SCHEMBL26927378 0.82 GSK3A (0.39) POLBL3MBTL1MAPTNPSR1GSK3A
SCHEMBL31500457 0.82 GSK3A (0.39) POLBL3MBTL1MAPTNPSR1GSK3A
SCHEMBL21620481 0.77 CCNA2 (0.42) POLBL3MBTL1MAPTNPSR1KMT2A
SCHEMBL12682543 0.77 KDM4E (0.51) POLBL3MBTL1MAPTNPSR1KMT2A

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
WO-2023164181-A1 BENZOTHIA(DIA)ZEPINE COMPOUNDS FOR TREATMENT OF HBV AND HDV ASSEMBLY BIOSCIENCES, INC. (US) 2023-08-31 WO disclosed
WO-2023164181-A1 BENZOTHIA(DIA)ZEPINE COMPOUNDS FOR TREATMENT OF HBV AND HDV ASSEMBLY BIOSCIENCES, INC. (US) 2023-08-31 WO disclosed