SCHEMBL30161668

SCHEMBL30161668

Cc1nn(C2CCCCO2)c2cc(Br)cc(OC3CCN(C(=O)OC(C)(C)C)C3)c12

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.42
PIK3CD O00329 13/20 0.38
USP30 Q70CQ3 1/20 0.38
PIK3CA P42336 3/20 0.37
PIK3CB P42338 2/20 0.37
PIK3CG P48736 2/20 0.37
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
TBK1 Q9UHD2 2/20 0.36

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
SCHEMBL28387149 1.00 PDE4B (0.42) PDE4BPIK3CDUSP30PIK3CAPIK3CB
SCHEMBL20703727 0.89 PDE4B (0.32) PDE4B
SCHEMBL20699347 0.89 PDE4B (0.32) PDE4B
SCHEMBL20711762 0.85 PDE4B (0.43) PDE4BPIK3CDUSP30PIK3CAPIK3CB
SCHEMBL28385243 0.85 PDE4B (0.43) PDE4BPIK3CDUSP30PIK3CAPIK3CB
SCHEMBL29607485 0.85 PDE4B (0.43) PDE4BPIK3CDUSP30PIK3CAPIK3CB
SCHEMBL29606524 0.84 PIK3CD (0.41) PDE4BPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL21796648 0.77 PDE4B (0.43) PDE4BPIK3CDPIK3CA
SCHEMBL18398984 0.77 PDE4B (0.43) PDE4BPIK3CDPIK3CA
SCHEMBL21796806 0.77 PDE4B (0.43) PDE4BPIK3CDPIK3CA

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-111032646-B Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors 施万生物制药研发IP有限责任公司 2023-01-03 CN disclosed