SCHEMBL4769052

SCHEMBL4769052

CN(CC(F)(F)F)c1nc(Cl)ncc1C#N

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
AR P10275 9/20 0.38
PIN1 Q13526 2/20 0.37
PGR P06401 1/20 0.31
ATF1 P18846 1/20 0.30
NFKB1 P19838 1/20 0.30
NUDT1 P36639 1/20 0.30

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
SCHEMBL4773492 0.78 CSNK1A1 (0.45) CSNK1A1CLK4ARPIN1
SCHEMBL4763570 0.77 CSNK1A1 (0.44) CSNK1A1CLK4ARPIN1
SCHEMBL4773830 0.76 CSNK1A1 (0.43) CSNK1A1CLK4ARPIN1
SCHEMBL4765891 0.75 CSNK1A1 (0.51) CSNK1A1CLK4PIN1
SCHEMBL4764036 0.74 CSNK1A1 (0.50) CSNK1A1CLK4ARPIN1
SCHEMBL4773917 0.71 ALDH1A1 (0.42) CSNK1A1CLK4PIN1NFKB1
SCHEMBL24135156 0.69 CSNK1A1 (0.60) CSNK1A1CLK4PIN1NFKB1
SCHEMBL4769009 0.69 NFKB1 (0.40) ATF1NFKB1
SCHEMBL4766382 0.68 CSNK1A1 (0.46) CSNK1A1CLK4ARPIN1
SCHEMBL29314407 0.66 CDK1 (0.36) ARNUDT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303496-B9 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-03-19 EP disclosed
EP-1303496-B1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-12 EP disclosed
US-6908920-B2 Pyrimidine derivatives ASTRAZENECA AB (SE) 2005-06-21 US disclosed