SCHEMBL28817767

SCHEMBL28817767

Nc1nc2nc(C3CC3)[nH]c(=O)c2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 5/20 0.63
▸ TXN P10599 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ FGFR1 P11362 2/20 0.43
▸ FGFR2 P21802 2/20 0.43

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
SCHEMBL14743923 0.87 PNP (0.59) PNPTXNKDM4EMEN1ALDH1A1
8-Aminoguanine SCHEMBL21761 0.79 PNP (1.00) PNPKDM4EMEN1ALDH1A1MAPT
SCHEMBL5495950 0.76 PNP (0.50) PNPTXNKDM4EMEN1ALDH1A1
SCHEMBL1443897 0.72 PNP (0.58) PNPTXNKDM4EMEN1ALDH1A1
SCHEMBL26155923 0.71 PNP (0.73) PNPKDM4EMEN1ALDH1A1MAPT
8-Aminoguanine SCHEMBL5513824 0.69 PNP (0.77) PNPKDM4EMEN1ALDH1A1MAPT
SCHEMBL18186143 0.68 PNP (0.51) PNPTXNKDM4EMEN1ALDH1A1
SCHEMBL1337886 0.68 PNP (0.42) PNPTXNMAPTHSD17B10
SCHEMBL28004912 0.68 PNP (0.42) PNPTXN
SCHEMBL10629399 0.68 PNP (0.68) PNPKDM4EMEN1ALDH1A1MAPT

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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