SCHEMBL28004985

SCHEMBL28004985

Cc1nc(C2CC2)c2[nH]c(N)nc2n1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 1/20 0.40
▸ FFAR2 O15552 3/20 0.36
▸ NPY5R Q15761 1/20 0.36
▸ PKM P14618 1/20 0.34
▸ TXN P10599 1/20 0.32

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
SCHEMBL27523662 0.79 PNP (0.40) PNPTXN
SCHEMBL28004484 0.79 PNP (0.40) PNPTXN
SCHEMBL1290910 0.74 PNP (0.48) PNP
SCHEMBL27491043 0.73 PNP (0.38) PNPTXN
SCHEMBL28004912 0.68 PNP (0.42) PNPTXN
SCHEMBL9797615 0.67 PNP (0.41) PNP
SCHEMBL27593677 0.66 HRH2 (0.34) —
SCHEMBL28817767 0.66 PNP (0.63) PNPTXN
SCHEMBL4757942 0.65 ADORA1 (0.34) NPY5R
SCHEMBL10996491 0.64 PKM (0.39) PKM

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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