SCHEMBL7654981

SCHEMBL7654981

CN(Cc1cnc(CN(C)C(CO)CO)cn1)C(CO)CO

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.41
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL7653615 0.82 PDCD1 (0.40) PNPPDCD1CD274ESR1ESR2
SCHEMBL7108544 0.80 PNP (0.36) PNP
SCHEMBL7106706 0.80 PNP (0.31) PNP
SCHEMBL7107796 0.78
SCHEMBL7109158 0.77 PNP (0.46) PNP
SCHEMBL7655218 0.76 GRIN2D (0.39) PNPPDCD1CD274
SCHEMBL7103584 0.73 PNP (0.44) PNP
SCHEMBL7110095 0.73 MTAP (0.34) PNP
SCHEMBL7656354 0.72 PNP (0.36) PNPPDCD1CD274
SCHEMBL7108600 0.71 TYMP (0.41) 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
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