SCHEMBL4764036

SCHEMBL4764036

CCN(CC)c1nc(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
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 3/20 0.43
MAPK1 P28482 2/20 0.43
CASP1 P29466 1/20 0.43
CLK1 P49759 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PIN1 Q13526 2/20 0.41
TSHR P16473 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
AR P10275 1/20 0.35
MAPT P10636 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
PLK1 P53350 1/20 0.34

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
SCHEMBL4765891 0.78 CSNK1A1 (0.51) CSNK1A1CLK4KDM4EALDH1A1PIN1
SCHEMBL15434051 0.77 TDP1 (0.44) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL4773492 0.75 CSNK1A1 (0.45) CSNK1A1CLK4KDM4EALDH1A1MAPK1
SCHEMBL12929767 0.74 ACP1 (0.51) CLK4KDM4EALDH1A1TDP1MAPK1
SCHEMBL4769052 0.74 CSNK1A1 (0.44) CSNK1A1CLK4PIN1AR
SCHEMBL4763570 0.74 CSNK1A1 (0.44) CSNK1A1CLK4ALDH1A1L3MBTL1PIN1
SCHEMBL13649069 0.74 KMT2A (0.52) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL27826456 0.74 CSNK1A1 (0.55) CSNK1A1CLK4KDM4EALDH1A1TDP1
SCHEMBL4773830 0.73 CSNK1A1 (0.43) CSNK1A1CLK4ALDH1A1PIN1AR
SCHEMBL4773917 0.71 ALDH1A1 (0.42) CSNK1A1CLK4KDM4EALDH1A1CASP1

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