SCHEMBL30897077

SCHEMBL30897077

O=C1C=C[C@H](n2cnc3c(Cl)ncnc32)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ ADCY5 O95622 11/20 0.37
▸ FDPS P14324 1/20 0.36
▸ ADORA2A P29274 4/20 0.36
▸ P2RX7 Q99572 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ FGFR4 P22455 1/20 0.35
▸ ADORA3 P0DMS8 2/20 0.35
▸ ADORA1 P30542 2/20 0.35
▸ PI4KA P42356 2/20 0.35
▸ PI4K2B Q8TCG2 2/20 0.35
▸ PI4K2A Q9BTU6 2/20 0.35
▸ PI4KB Q9UBF8 2/20 0.35
▸ ADORA2B P29275 1/20 0.35

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
SCHEMBL30897072 1.00 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DADCY5
SCHEMBL6427905 0.83 ADORA2A (0.56) ADCY5ADORA2AADORA3ADORA1PI4KA
SCHEMBL21682109 0.77 PRMT5 (0.39) FGFR1FGFR4
SCHEMBL21682107 0.77 PRMT5 (0.39) FGFR1FGFR4
SCHEMBL30897109 0.73 ADCY5 (0.45) PDE4APDE4BPDE4CPDE4DADCY5
SCHEMBL8885246 0.73 ADCY5 (0.45) PDE4APDE4BPDE4CPDE4DADCY5
SCHEMBL4352091 0.73 ADCY5 (0.45) PDE4APDE4BPDE4CPDE4DADCY5
SCHEMBL24196376 0.72 ADORA2A (0.65) PDE4APDE4BPDE4CPDE4DADCY5
SCHEMBL26804584 0.71 AHCY (0.42) PDE4APDE4BPDE4CPDE4DFDPS
SCHEMBL7592748 0.70 ADCY5 (0.54) PDE4DADCY5ADORA2AADORA3ADORA1

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-2024107859-A1 CYCLOPENTENE-OXYMETHYLENE PHOSPHONAMIDATES AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ROME THERAPEUTICS, INC. (US) 2024-05-23 — — WO disclosed
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