SCHEMBL4765894

SCHEMBL4765894

N#CCNc1nc(Cl)ncc1C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
PIN1 Q13526 3/20 0.41
PGK1 P00558 3/20 0.40
LRRK2 Q5S007 1/20 0.37
CDK1 P06493 1/20 0.37
CDK2 P24941 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
AURKA O14965 1/20 0.34
STK17B O94768 1/20 0.34
STK17A Q9UEE5 1/20 0.34
PRKCQ Q04759 2/20 0.33
PLAU P00749 1/20 0.32
SYK P43405 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32

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 0.88 CSNK1A1 (0.51) CSNK1A1CLK4PIN1PGK1LRRK2
SCHEMBL4770518 0.87 CSNK1A1 (0.47) CSNK1A1CLK4PIN1PGK1LRRK2
SCHEMBL2446241 0.83 STK17A (0.47) CSNK1A1CLK4PGK1CDK1CDK2
SCHEMBL4768126 0.83 CNR1 (0.46) CSNK1A1CLK4PIN1PGK1LRRK2
SCHEMBL4768640 0.81 POLB (0.49) CSNK1A1CLK4PIN1PGK1LRRK2
SCHEMBL4773544 0.81 CSNK1A1 (0.55) CSNK1A1CLK4PIN1PGK1LRRK2
SCHEMBL4772159 0.81 CSNK1A1 (0.47) CSNK1A1CLK4PIN1PGK1LRRK2
SCHEMBL27502303 0.81 CSNK1A1 (0.51) CSNK1A1CLK4PIN1CDK2ALDH1A1
SCHEMBL4763576 0.80 CSNK1A1 (0.44) CSNK1A1CLK4PIN1PGK1LRRK2
SCHEMBL4765379 0.80 CSNK1A1 (0.44) CSNK1A1CLK4PIN1L3MBTL1ALDH1A1

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