SCHEMBL31496868

SCHEMBL31496868

Nc1nc(Br)cc2c(CO)n[nH]c(=O)c12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 1/20 0.43
▸ PDE1A P54750 1/20 0.43
▸ PDE1B Q01064 1/20 0.43
▸ PDE3B Q13370 1/20 0.43
▸ PDE1C Q14123 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ PRMT5 O14744 4/20 0.35
▸ WDR77 Q9BQA1 2/20 0.35
▸ TYMS P04818 2/20 0.35
▸ AR P10275 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ PARP1 P09874 2/20 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
SCHEMBL31388100 0.80 ADORA1 (0.44) ADORA1PDE1APDE1BPDE3BPDE1C
SCHEMBL31496948 0.80 ADORA1 (0.41) ADORA1PDE1APDE1BPDE3BPDE1C
SCHEMBL31496922 0.77 ADORA1 (0.41) ADORA1PDE1APDE1BPDE3BPDE1C
SCHEMBL31496927 0.76 ADORA1 (0.43) ADORA1PDE1APDE1BPDE3BPDE1C
SCHEMBL23087259 0.72 ADORA1 (0.44) ADORA1PDE1APDE1BPDE3BPDE1C
SCHEMBL23087910 0.72 ADORA1 (0.53) ADORA1PDE1APDE1BPDE3BPDE1C
SCHEMBL23087512 0.72 ADORA1 (0.44) ADORA1PDE1APDE1BPDE3BPDE1C
SCHEMBL30752953 0.72 PARP1 (0.41) ADORA1PDE1APDE1BPDE3BPDE1C
SCHEMBL30752986 0.71 ADORA1 (0.43) ADORA1PDE1APDE1BPDE3BPDE1C
SCHEMBL29915107 0.69 ADORA1 (0.42) ADORA1PDE1APDE1BPDE3BPDE1C

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-119585261-A PRMT5 inhibitor, preparation method and application thereof 上海艾力斯医药科技股份有限公司 2025-03-07 — — CN disclosed
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