SCHEMBL30025113

SCHEMBL30025113

Cn1cnc2c1c(=O)n(C[C@@H]1CCC[C@@](O)(C(F)(F)F)C1)c(=O)n2C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 8/20 0.47
▸ GLA P06280 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ TNF P01375 4/20 0.43
▸ ACHE P22303 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ PDE4A P27815 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ BCHE P06276 1/20 0.42
▸ PIK3CD O00329 1/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL17682124 1.00 ADORA2B (0.47) ADORA2BGLABLMTNFACHE
SCHEMBL17682188 1.00 ADORA2B (0.47) ADORA2BGLABLMTNFACHE
SCHEMBL30025374 1.00 ADORA2B (0.47) ADORA2BGLABLMTNFACHE
SCHEMBL17682190 1.00 ADORA2B (0.47) ADORA2BGLABLMTNFACHE
SCHEMBL19245931 0.94 ADORA2B (0.48) ADORA2BGLABLMTNFACHE
SCHEMBL17682151 0.94 ADORA2B (0.48) ADORA2BGLABLMTNFACHE
SCHEMBL17682121 0.94 ADORA2B (0.48) ADORA2BGLABLMTNFACHE
SCHEMBL17682136 0.94 ADORA2B (0.48) ADORA2BGLABLMTNFACHE
SCHEMBL19245902 0.94 ADORA2B (0.48) ADORA2BGLABLMTNFACHE
SCHEMBL17682137 0.90 ADORA2B (0.52) ADORA2BGLABLMTNFACHE

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-111233863-B Hydroxyl purine compound and application thereof 广东众生睿创生物科技有限公司 2022-10-25 — — CN disclosed
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