SCHEMBL5743459

SCHEMBL5743459

CC(C)(C)OC(=O)N1CCCCC1c1nc(-c2ccccn2)nc(C2CCCCN2)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.39
GCK P35557 2/20 0.38
CPT1A P50416 5/20 0.37
CPT2 P23786 4/20 0.37
USP30 Q70CQ3 2/20 0.36
IKBKB O14920 1/20 0.36
GPR119 Q8TDV5 2/20 0.35
UCHL1 P09936 1/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
POLB P06746 2/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
CPT1B Q92523 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL5741071 0.83 USP30 (0.40) GRM5GCKUSP30GPR119UCHL1
SCHEMBL5741411 0.74 IKBKB (0.50) GRM5USP30IKBKBPOLBMEN1
SCHEMBL28814072 0.72 PRMT5 (0.55) GRM5CPT1AUSP30GPR119PRMT5
SCHEMBL29491244 0.72 PRMT5 (0.55) GRM5CPT1AUSP30GPR119PRMT5
SCHEMBL5744548 0.71 IKBKB (0.46) GRM5USP30IKBKBPOLBADORA2A
SCHEMBL2307181 0.71 CPT1A (0.67) GRM5CPT1ACPT2GPR119CPT1B
SCHEMBL2307483 0.71 CPT1A (0.67) CPT1ACPT2CPT1BALDH1A1LMNA
SCHEMBL2307492 0.71 CPT1A (0.67) CPT1ACPT2CPT1BALDH1A1LMNA
SCHEMBL2307175 0.71 CPT1A (0.67) GRM5CPT1ACPT2GPR119CPT1B
SCHEMBL5741008 0.70 USP30 (0.44) GRM5USP30IKBKBGPR119PRMT5

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
EP-1678146-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2006-07-12 EP disclosed
WO-2005040133-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-05-06 WO disclosed