SCHEMBL5743013

SCHEMBL5743013

CC(C)Cc1cccc(O)c1-c1nc(N)c(C#N)c(C2CCCN(C(=O)OC(C)(C)C)C2)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.40
FEN1 P39748 4/20 0.40
IKBKB O14920 5/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TRPV3 Q8NET8 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGDS O60760 1/20 0.37
PARP1 P09874 1/20 0.36
P2RX7 Q99572 1/20 0.35
USP30 Q70CQ3 1/20 0.35
SMARCA2 P51531 1/20 0.35
SMARCA4 P51532 1/20 0.35
PBRM1 Q86U86 1/20 0.35
ANO1 Q5XXA6 1/20 0.35
HSD11B1 P28845 1/20 0.35

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
SCHEMBL5741980 0.93 ALOX5AP (0.39) ALOX5APFEN1IKBKBJAK2JAK1
SCHEMBL5741166 0.91 IKBKB (0.41) ALOX5APFEN1IKBKBJAK2JAK1
SCHEMBL5743095 0.91 ALOX5AP (0.39) ALOX5APFEN1IKBKBJAK2JAK1
SCHEMBL5741514 0.80 PRMT5 (0.44) ALOX5APFEN1IKBKBJAK2JAK1
SCHEMBL5741008 0.79 USP30 (0.44) ALOX5APFEN1IKBKBJAK2JAK1
SCHEMBL4944907 0.78 IKBKB (0.57) IKBKB
SCHEMBL5742800 0.76 ALDH1A1 (0.45) ALOX5APFEN1JAK2JAK1TRPV3
SCHEMBL5741045 0.75 ALOX5AP (0.42) ALOX5APFEN1JAK2JAK1TRPV3
SCHEMBL4946551 0.73 IKBKB (0.70) IKBKBSMARCA2SMARCA4PBRM1
SCHEMBL5743203 0.72 HPGDS (0.39) ALOX5APFEN1IKBKBJAK2JAK1

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