SCHEMBL7108772

SCHEMBL7108772

OCC(O)CNCc1cncc(CNCC(O)CO)n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 2/20 0.38
▸ TYMP P19971 1/20 0.36
▸ UPP1 Q16831 1/20 0.35
▸ DNM1 Q05193 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ PDCD1 Q15116 2/20 0.32
▸ CD274 Q9NZQ7 2/20 0.32
▸ TGFBR1 P36897 1/20 0.31
▸ TGFBR2 P37173 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ PRKCQ Q04759 1/20 0.30
▸ PRKCD Q05655 1/20 0.30

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
SCHEMBL7108663 0.84 PNP (0.39) PNPKDM4E
SCHEMBL7106463 0.83 PNP (0.36) PNP
SCHEMBL7656011 0.81 TRPV3 (0.43) PNPTYMPDNM1KDM4EPDCD1
SCHEMBL7103571 0.81 PNP (0.42) PNPTYMPUPP1DNM1KDM4E
SCHEMBL7659608 0.78 PNP (0.38) PNPTYMPUPP1DNM1PDCD1
SCHEMBL7657692 0.73 CD274 (0.46) PNPDNM1KDM4EPDCD1CD274
SCHEMBL7109310 0.72 VSIR (0.38) PDCD1CD274
SCHEMBL7110102 0.71 TRPV3 (0.34) PNPTYMPUPP1
SCHEMBL27756230 0.70 TYMP (0.40) PNPTYMPUPP1DNM1KDM4E
SCHEMBL27777044 0.70 TYMP (0.40) PNPTYMPUPP1DNM1KDM4E

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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