SCHEMBL4773492

SCHEMBL4773492

CN(CCC#N)c1nc(Cl)ncc1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
PIN1 Q13526 2/20 0.38
IRAK1 P51617 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
AR P10275 2/20 0.33
NMT1 P30419 6/20 0.32
GBA1 P04062 1/20 0.32
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL4773830 0.83 CSNK1A1 (0.43) CSNK1A1CLK4PIN1ARGBA1
SCHEMBL4763570 0.78 CSNK1A1 (0.44) CSNK1A1CLK4PIN1ARALDH1A1
SCHEMBL4769052 0.78 CSNK1A1 (0.44) CSNK1A1CLK4PIN1AR
SCHEMBL4765891 0.76 CSNK1A1 (0.51) CSNK1A1CLK4PIN1KDM4EALDH1A1
SCHEMBL4764036 0.75 CSNK1A1 (0.50) CSNK1A1CLK4PIN1LMNATSHR
SCHEMBL4770177 0.72 POLB (0.33) IRAK1IRAK4TSHRNMT1ALDH1A1
SCHEMBL4773917 0.72 ALDH1A1 (0.42) CSNK1A1CLK4PIN1LMNATSHR
SCHEMBL4765379 0.67 CSNK1A1 (0.44) CSNK1A1CLK4PIN1MAPK1KDM4E
SCHEMBL24135156 0.67 CSNK1A1 (0.60) CSNK1A1CLK4PIN1KDM4EALDH1A1
SCHEMBL11048901 0.66 KMT2A (0.47) IRAK1IRAK4LMNATSHRMAPK1

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