SCHEMBL4763576

SCHEMBL4763576

CC=CCNc1nc(Cl)ncc1C#N

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PIN1 Q13526 3/20 0.37
PGK1 P00558 1/20 0.35
HPGD P15428 1/20 0.34
LRRK2 Q5S007 1/20 0.34
PRKCQ Q04759 3/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.31
TP53 P04637 1/20 0.31
AURKA O14965 1/20 0.31
CDK1 P06493 1/20 0.30
SRC P12931 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
SCHEMBL4766397 0.82 CSNK1A1 (0.51) CSNK1A1CLK4L3MBTL1ALDH1A1PIN1
SCHEMBL4765894 0.80 CSNK1A1 (0.50) CSNK1A1CLK4L3MBTL1ALDH1A1PIN1
SCHEMBL4770518 0.78 CSNK1A1 (0.47) CSNK1A1CLK4L3MBTL1ALDH1A1PIN1
SCHEMBL4768126 0.77 CNR1 (0.46) CSNK1A1CLK4L3MBTL1ALDH1A1PIN1
SCHEMBL4768640 0.75 POLB (0.49) CSNK1A1CLK4L3MBTL1ALDH1A1PIN1
SCHEMBL4773544 0.75 CSNK1A1 (0.55) CSNK1A1CLK4ALDH1A1PIN1PGK1
SCHEMBL4772159 0.75 CSNK1A1 (0.47) CSNK1A1CLK4L3MBTL1ALDH1A1PIN1
SCHEMBL27502303 0.75 CSNK1A1 (0.51) CSNK1A1CLK4ALDH1A1PIN1HPGD
SCHEMBL4765379 0.74 CSNK1A1 (0.44) CSNK1A1CLK4L3MBTL1ALDH1A1PIN1
SCHEMBL4579364 0.74 SMN1; SMN2 (0.45) CSNK1A1CLK4ALDH1A1PIN1HPGD

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-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