SCHEMBL5742800

SCHEMBL5742800

CC(C)(C)OC(=O)N1CCCC(c2nc(Cl)nc(N)c2C#N)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 0.40
HPGDS O60760 1/20 0.40
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BACE1 P56817 2/20 0.37
CTSD P07339 1/20 0.37
PARP1 P09874 1/20 0.37
TRPV3 Q8NET8 1/20 0.37
GPR119 Q8TDV5 4/20 0.37
USP30 Q70CQ3 1/20 0.36

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
SCHEMBL5741166 0.81 IKBKB (0.41) ALDH1A1MEN1MAPTKMT2AJAK2
SCHEMBL5741008 0.80 USP30 (0.44) ALDH1A1MEN1MAPTKMT2AJAK2
SCHEMBL5741045 0.80 ALOX5AP (0.42) ALDH1A1MEN1MAPTKMT2AJAK2
SCHEMBL7023686 0.79 MEN1 (0.44) ALDH1A1MEN1MAPTKMT2AJAK2
SCHEMBL5743203 0.78 HPGDS (0.39) ALDH1A1MEN1MAPTKMT2AJAK2
SCHEMBL5743013 0.76 ALOX5AP (0.40) ALDH1A1MEN1MAPTKMT2AJAK2
SCHEMBL5741514 0.76 PRMT5 (0.44) JAK2JAK1ALOX5APFEN1HPGDS
SCHEMBL5743095 0.76 ALOX5AP (0.39) ALDH1A1MEN1MAPTKMT2AJAK2
SCHEMBL4944907 0.73 IKBKB (0.57)
SCHEMBL4946551 0.73 IKBKB (0.70)

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