SCHEMBL5741514

SCHEMBL5741514

CC(C)(C)OC(=O)N1CCCC(c2nc(-c3c(OCc4ccccc4)cccc3OCc3ccccc3)nc(N)c2C#N)C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 4/20 0.44
IKBKB O14920 2/20 0.44
HPGDS O60760 2/20 0.42
GPR119 Q8TDV5 2/20 0.41
HTR6 P50406 4/20 0.40
BCHE P06276 2/20 0.40
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 0.40
USP30 Q70CQ3 2/20 0.40
JAK2 O60674 1/20 0.38
JAK1 P23458 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
SCHEMBL4946697 0.86 IKBKB (0.58) PRMT5IKBKB
SCHEMBL5741166 0.85 IKBKB (0.41) IKBKBHPGDSALOX5APFEN1USP30
SCHEMBL4947301 0.83 IKBKB (0.65) IKBKB
SCHEMBL5741008 0.82 USP30 (0.44) PRMT5IKBKBHPGDSGPR119ALOX5AP
SCHEMBL4939088 0.81 IKBKB (0.53) PRMT5IKBKBHPGDSGPR119ALOX5AP
SCHEMBL5743013 0.80 ALOX5AP (0.40) IKBKBHPGDSALOX5APFEN1USP30
SCHEMBL5743095 0.80 ALOX5AP (0.39) IKBKBHPGDSALOX5APFEN1USP30
SCHEMBL5741980 0.78 ALOX5AP (0.39) IKBKBHPGDSALOX5APFEN1USP30
SCHEMBL4938772 0.77 IKBKB (0.48) PRMT5IKBKB
SCHEMBL4947768 0.77 IKBKB (0.48) PRMT5IKBKB

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