SCHEMBL4773830

SCHEMBL4773830

COCCN(C)c1nc(Cl)ncc1C#N

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
PIN1 Q13526 2/20 0.39
GBA1 P04062 2/20 0.38
SLC9A5 Q14940 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
FGFR4 P22455 2/20 0.32
SRC P12931 3/20 0.32
MAOB P27338 1/20 0.32
AR P10275 1/20 0.32
ADK P55263 1/20 0.32
GRM4 Q14833 1/20 0.31
MET P08581 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL29314144 0.83 ADORA2A (0.38) CSNK1A1CLK4GBA1SLC9A5ROCK2
SCHEMBL4773492 0.83 CSNK1A1 (0.45) CSNK1A1CLK4PIN1GBA1AR
SCHEMBL2530563 0.80 SLC9A5 (0.36) GBA1SLC9A5GRM4METALDH1A1
SCHEMBL4763570 0.76 CSNK1A1 (0.44) CSNK1A1CLK4PIN1ARALDH1A1
SCHEMBL4769052 0.76 CSNK1A1 (0.44) CSNK1A1CLK4PIN1AR
SCHEMBL4765891 0.74 CSNK1A1 (0.51) CSNK1A1CLK4PIN1ALDH1A1
SCHEMBL5723859 0.74 PIN1 (0.52) CSNK1A1CLK4PIN1FGFR4SRC
SCHEMBL4764036 0.73 CSNK1A1 (0.50) CSNK1A1CLK4PIN1ARALDH1A1
SCHEMBL4773917 0.73 ALDH1A1 (0.42) CSNK1A1CLK4PIN1ALDH1A1
SCHEMBL5723201 0.70 PIN1 (0.49) CSNK1A1CLK4PIN1FGFR4SRC

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