SCHEMBL30752917

SCHEMBL30752917

[2H]C([2H])([2H])N(C(=O)OC(C)(C)C)c1nc(Br)cc2c(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n[nH]c(=O)c12

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 1/20 0.32
▸ PDE1A P54750 1/20 0.32
▸ PDE1B Q01064 1/20 0.32
▸ PDE3B Q13370 1/20 0.32
▸ PDE1C Q14123 1/20 0.32
▸ PDE3A Q14432 1/20 0.32

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
SCHEMBL30752835 0.90 ADORA1 (0.41) ADORA1PDE1APDE1BPDE3BPDE1C
SCHEMBL30752986 0.83 ADORA1 (0.43) ADORA1PDE1APDE1BPDE3BPDE1C
SCHEMBL25581275 0.77 ADORA1 (0.38) ADORA1PDE1APDE1BPDE3BPDE1C
SCHEMBL27002444 0.76 AR (0.34) ADORA1PDE1APDE1BPDE3BPDE1C
SCHEMBL25581278 0.76 ADORA1 (0.33) ADORA1PDE1APDE1BPDE3BPDE1C
SCHEMBL25581297 0.74 PRMT5 (0.36) ADORA1PDE1APDE1BPDE3BPDE1C
SCHEMBL31496890 0.73 ADORA1 (0.38) ADORA1PDE1APDE1BPDE3BPDE1C
SCHEMBL25218581 0.71 ADORA1 (0.31) ADORA1PDE1APDE1BPDE3BPDE1C
SCHEMBL31222760 0.70 ADORA1 (0.32) ADORA1PDE1APDE1BPDE3BPDE1C
SCHEMBL30753040 0.70 PDPK1 (0.31) —

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
WO-2024027703-A1 PRMT5 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 上海艾力斯医药科技股份有限公司 2024-02-08 — — WO disclosed
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