SCHEMBL4772159

SCHEMBL4772159

N#Cc1cnc(Cl)nc1NCCF

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
MBOAT4 Q96T53 3/20 0.41
PIN1 Q13526 1/20 0.39
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PGK1 P00558 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
EGFR P00533 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
LRRK2 Q5S007 1/20 0.34
SIRT5 Q9NXA8 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA1 P30542 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
STK17B O94768 1/20 0.33
STK17A Q9UEE5 1/20 0.33

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
SCHEMBL27502303 0.84 CSNK1A1 (0.51) CSNK1A1CLK4PIN1ALDH1A1EGFR
SCHEMBL4766397 0.82 CSNK1A1 (0.51) CSNK1A1CLK4PIN1ALDH1A1L3MBTL1
SCHEMBL22997993 0.82 CSNK1A1 (0.45) CSNK1A1CLK4PIN1ALDH1A1EGFR
SCHEMBL4768640 0.82 POLB (0.49) CSNK1A1CLK4PIN1ALDH1A1L3MBTL1
SCHEMBL4765894 0.81 CSNK1A1 (0.50) CSNK1A1CLK4PIN1ALDH1A1L3MBTL1
SCHEMBL4579364 0.81 SMN1; SMN2 (0.45) CSNK1A1CLK4PIN1ALDH1A1NPC1
SCHEMBL4765379 0.81 CSNK1A1 (0.44) CSNK1A1CLK4PIN1ALDH1A1L3MBTL1
SCHEMBL4766382 0.80 CSNK1A1 (0.46) CSNK1A1CLK4MBOAT4PIN1ALDH1A1
SCHEMBL4770518 0.78 CSNK1A1 (0.47) CSNK1A1CLK4PIN1ALDH1A1L3MBTL1
SCHEMBL4768126 0.77 CNR1 (0.46) CSNK1A1CLK4PIN1ALDH1A1L3MBTL1

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