SCHEMBL7103531

SCHEMBL7103531

CN(C(=O)c1cnc(C(=O)N(C)C(CO)CO)cn1)C(CO)CO

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
SIRT6 Q8N6T7 1/20 0.31
PNP P00491 1/20 0.31
ALDH1A1 P00352 2/20 0.30
POLB P06746 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL7655696 0.83 P4HTM (0.40) KMT2AROCK2ROCK1PNPALDH1A1
SCHEMBL7108649 0.81 TSPO (0.30) MEN1KMT2AROCK2ROCK1ALDH1A1
SCHEMBL7103591 0.80 SIRT6 (0.31) SIRT6
SCHEMBL7104707 0.79 PNP (0.36) MEN1KMT2APNP
SCHEMBL7661222 0.78 TDP1 (0.41) ALDH1A1POLBKDM4E
SCHEMBL7663615 0.78 SIRT6 (0.30) SIRT6
SCHEMBL7654697 0.77 MEN1 (0.31) MEN1KMT2A
SCHEMBL7106680 0.74 MEN1 (0.36) MEN1KMT2APNP
SCHEMBL7651968 0.74 KDM4E (0.40) MEN1KMT2AROCK2ROCK1ALDH1A1
SCHEMBL7106490 0.73 MEN1 (0.36) MEN1KMT2AROCK2ROCK1

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