SCHEMBL20155268

SCHEMBL20155268

COc1ncc(Br)c(N)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
CASP1 P29466 1/20 0.36
AURKA O14965 1/20 0.35
TTK P33981 1/20 0.35
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
PIK3CA P42336 2/20 0.33
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
GAA P10253 1/20 0.31
MBOAT4 Q96T53 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL790816 0.84 MAPT (0.36) MAPTCASP1AURKATTKAURKB
SCHEMBL14853026 0.82 MAPT (0.39) MAPTCASP1AURKATTKAURKB
SCHEMBL13674949 0.81 GAA (0.33) MAPTCASP1AURKATTKAURKB
SCHEMBL16475152 0.80 ALOX5AP (0.37) MAPTCASP1AURKATTKAURKB
SCHEMBL14853023 0.79 MAPT (0.38) MAPTCASP1AURKATTKAURKB
SCHEMBL29403152 0.79 MAPT (0.38) MAPTCASP1AURKATTKAURKB
SCHEMBL17437073 0.78 MAPT (0.35) MAPTCASP1AURKATTKAURKB
SCHEMBL25853070 0.77 MBOAT4 (0.31) MBOAT4
SCHEMBL23234738 0.76 LMNA (0.36) MAPTHTTGAAMBOAT4
SCHEMBL22207075 0.76 MAPT (0.36) MAPTCASP1AURKATTKAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022257960-A1 BICYCLIC COMPOUND FOR THE TREATMENT OF EP2 AND EP4 RECEPTOR-MEDIATED DISEASES 武汉人福创新药物研发中心有限公司 2022-12-15 WO disclosed
WO-2022257960-A1 BICYCLIC COMPOUND FOR THE TREATMENT OF EP2 AND EP4 RECEPTOR-MEDIATED DISEASES 武汉人福创新药物研发中心有限公司 2022-12-15 WO disclosed
CN-115448913-A Bicyclic compounds for the treatment of EP2, EP4 receptor mediated diseases 武汉人福创新药物研发中心有限公司 2022-12-09 CN disclosed
WO-2018086604-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF 山东罗欣药业集团股份有限公司 2018-05-17 WO disclosed