SCHEMBL5741008

SCHEMBL5741008

CC(C)(C)OC(=O)N1CCCC(c2nc(-c3ccccn3)nc(N)c2C#N)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.44
HPGDS O60760 2/20 0.44
ALOX5AP P20292 2/20 0.42
FEN1 P39748 2/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
GRM5 P41594 2/20 0.41
GPR119 Q8TDV5 2/20 0.41
PRMT5 O14744 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
IKBKB O14920 1/20 0.39
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
PBRM1 Q86U86 1/20 0.38
BTK Q06187 1/20 0.38
PARP1 P09874 1/20 0.38
TRPV3 Q8NET8 1/20 0.38

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
SCHEMBL5741045 0.88 ALOX5AP (0.42) HPGDSALOX5APFEN1JAK2JAK1
SCHEMBL5741071 0.86 USP30 (0.40) USP30GRM5GPR119MEN1ALDH1A1
SCHEMBL5741166 0.84 IKBKB (0.41) USP30HPGDSALOX5APFEN1JAK2
SCHEMBL5741514 0.82 PRMT5 (0.44) USP30HPGDSALOX5APFEN1JAK2
SCHEMBL5742800 0.80 ALDH1A1 (0.45) USP30HPGDSALOX5APFEN1JAK2
SCHEMBL5743095 0.79 ALOX5AP (0.39) USP30HPGDSALOX5APFEN1JAK2
SCHEMBL5743013 0.79 ALOX5AP (0.40) USP30HPGDSALOX5APFEN1JAK2
SCHEMBL5743203 0.78 HPGDS (0.39) USP30HPGDSALOX5APFEN1JAK2
SCHEMBL5741980 0.76 ALOX5AP (0.39) USP30HPGDSALOX5APFEN1JAK2
SCHEMBL193072 0.76 GRM5 (0.69) GRM5ALDH1A1MAPT

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