SCHEMBL7103571

SCHEMBL7103571

OCC(O)CNCc1cnc(CNCC(O)CO)cn1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 4/20 0.42
▸ TYMP P19971 1/20 0.38
▸ DNM1 Q05193 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CD274 Q9NZQ7 5/20 0.35
▸ PDCD1 Q15116 2/20 0.35
▸ UPP1 Q16831 1/20 0.33
▸ GLA P06280 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 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
SCHEMBL7657692 0.83 CD274 (0.46) PNPDNM1KDM4ECD274PDCD1
SCHEMBL7105047 0.82 PNP (0.43) PNPDNM1KDM4E
SCHEMBL7104789 0.82 PNP (0.41) PNPKDM4E
SCHEMBL7108772 0.81 PNP (0.38) PNPTYMPDNM1KDM4ECD274
SCHEMBL7656011 0.77 TRPV3 (0.43) PNPTYMPDNM1KDM4ECD274
SCHEMBL7659608 0.73 PNP (0.38) PNPTYMPDNM1CD274PDCD1
SCHEMBL27756229 0.73 TYMP (0.40) PNPTYMPDNM1KDM4ECD274
SCHEMBL27777044 0.73 TYMP (0.40) PNPTYMPDNM1KDM4ECD274
SCHEMBL27756230 0.73 TYMP (0.40) PNPTYMPDNM1KDM4ECD274
SCHEMBL18708126 0.71 DNM1 (0.38) PNPTYMPDNM1KDM4ECD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1001944-B1 PYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-10-01 — — EP claimed
US-6399613-B1 N,N'-BIS(2-HYDROXYETHYL)PYRAZINE-2,5- OR -2,6-DICARBOXAMIDE; DIABETES AVENTIS PHARMA S.A. (FR) 2002-06-04 — — US claimed
US-6399613-B1 N,N'-BIS(2-HYDROXYETHYL)PYRAZINE-2,5- OR -2,6-DICARBOXAMIDE; DIABETES AVENTIS PHARMA S.A. (FR) 2002-06-04 — — US disclosed
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