SCHEMBL7108600

SCHEMBL7108600

CN(Cc1cnc(CN(C)CC(O)CO)cn1)CC(O)CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.41
PNP P00491 2/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 2/20 0.34
S1PR1 P21453 1/20 0.34
AGER Q15109 1/20 0.34
KCNA5 P22460 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
SCN5A Q14524 1/20 0.33
KCND3 Q9UK17 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DNM1 Q05193 1/20 0.32
EGFR P00533 2/20 0.32
ALDH1A1 P00352 1/20 0.32
F2 P00734 1/20 0.31
F10 P00742 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
SCHEMBL7103584 0.85 PNP (0.44) PNP
SCHEMBL7658936 0.84 KMT2A (0.45) TYMPKMT2AMEN1LMNAPOLB
SCHEMBL7110095 0.84 MTAP (0.34) TYMPPNPAGER
SCHEMBL7108601 0.82 TYMP (0.39) TYMPPNPKMT2AMEN1POLB
SCHEMBL7106628 0.81 PNP (0.36) PNPLMNAKCNA5KCNJ5KCNJ3
SCHEMBL7655922 0.79 TYMP (0.39) TYMPKMT2AMEN1POLBS1PR1
SCHEMBL10424283 0.77 LMNA (0.47) TYMPLMNAKCNA5KCNJ5KCNJ3
SCHEMBL7656330 0.75 ALDH1A1 (0.40) TYMPKMT2AMEN1LMNAPOLB
Hydrochloric Acid SCHEMBL11704743 0.75 LMNA (0.44) TYMPLMNAKCNA5KCNJ5KCNJ3
SCHEMBL7103634 0.74 APLNR (0.31) KMT2AMEN1LMNA

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