SCHEMBL7106490

SCHEMBL7106490

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NTRK1 P04629 1/20 0.35
LMNA P02545 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
PDE10A Q9Y233 2/20 0.33
AKR1C3 P42330 1/20 0.32
CNR1 P21554 1/20 0.32
KCNA5 P22460 1/20 0.32
KCNJ5 P48544 1/20 0.32
KCNJ3 P48549 1/20 0.32
SCN5A Q14524 1/20 0.32
KCND3 Q9UK17 1/20 0.32
TYMP P19971 1/20 0.31
DGAT1 O75907 1/20 0.31
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 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
SCHEMBL7107240 0.85 MEN1 (0.35) MEN1KMT2ACNR1
SCHEMBL7658471 0.85 ROCK2 (0.39) KMT2ANTRK1ROCK2ROCK1PDE10A
SCHEMBL24342211 0.85 TDP1 (0.39) MEN1KMT2ANTRK1LMNAROCK2
SCHEMBL7106680 0.84 MEN1 (0.36) MEN1KMT2ACNR1
SCHEMBL7109867 0.83 PDE10A (0.36) NTRK1LMNAROCK2ROCK1PDE10A
SCHEMBL25094637 0.82 SMN1; SMN2 (0.34) MEN1KMT2ANTRK1LMNAROCK2
SCHEMBL7106667 0.82 KCNA5 (0.31) KCNA5KCNJ5KCNJ3SCN5AKCND3
SCHEMBL25094703 0.81 SCN9A (0.37) MEN1KMT2ANTRK1LMNAROCK2
SCHEMBL7110604 0.81 LMNA (0.41) NTRK1LMNAPDE10A
SCHEMBL7651990 0.80 ROCK2 (0.39) MEN1KMT2ANTRK1LMNAROCK2

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