SCHEMBL28004484

SCHEMBL28004484

Nc1nc2nc(O)nc(C3CC3)c2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 1/20 0.40
▸ TXN P10599 1/20 0.32
▸ PDE5A O76074 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31

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
SCHEMBL1337886 0.82 PNP (0.42) PNPTXN
SCHEMBL28004985 0.79 PNP (0.40) PNPTXN
SCHEMBL27523662 0.79 PNP (0.40) PNPTXN
SCHEMBL7672758 0.74 PNP (0.48) PNP
SCHEMBL27491043 0.73 PNP (0.38) PNPTXN
SCHEMBL28004912 0.68 PNP (0.42) PNPTXN
SCHEMBL9500288 0.67 PNP (0.41) PNP
SCHEMBL4757942 0.65 ADORA1 (0.34) —
8-Aminoguanine SCHEMBL27531531 0.62 PNP (0.48) PNP
8-Aminoguanine SCHEMBL5513824 0.58 PNP (0.77) PNP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104447746-A Compound for activating AMPK and application thereof HUAAN MEDICAL CO LTD 2015-03-25 — — CN claimed
CN-104447746-A Compound for activating AMPK and application thereof HUAAN MEDICAL CO LTD 2015-03-25 — — CN disclosed
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