SCHEMBL7108601

SCHEMBL7108601

CN(Cc1cncc(CN(C)CC(O)CO)n1)CC(O)CO

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.39
S1PR1 P21453 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PNP P00491 1/20 0.31
DNM1 Q05193 1/20 0.31
ALDH1A1 P00352 1/20 0.30
AGER Q15109 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
SCHEMBL7107785 0.85 MTAP (0.32) TYMP
SCHEMBL7106657 0.84 PNP (0.39) PNP
SCHEMBL7655922 0.83 TYMP (0.39) TYMPS1PR1MEN1POLBKMT2A
SCHEMBL7108600 0.82 TYMP (0.41) TYMPS1PR1MEN1POLBKMT2A
SCHEMBL7104647 0.82 PNP (0.32) PNP
SCHEMBL7656330 0.79 ALDH1A1 (0.40) TYMPS1PR1MEN1POLBKMT2A
SCHEMBL7658936 0.74 KMT2A (0.45) TYMPS1PR1MEN1POLBKMT2A
SCHEMBL7109239 0.74 HSD17B10 (0.41) POLBKDM4EL3MBTL1PNP
SCHEMBL10424283 0.74 LMNA (0.47) TYMPKDM4EL3MBTL1DNM1ALDH1A1
SCHEMBL7108544 0.73 PNP (0.36) 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 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