SCHEMBL29514280

SCHEMBL29514280

[2H]C([2H])([2H])C1(C([2H])([2H])[2H])Cn2nc(-c3ccc(F)cc3)c(I)c2CO1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 4/20 0.46
CSNK1A1 P48729 2/20 0.46
CSNK1E P49674 2/20 0.46
TNIK Q9UKE5 2/20 0.46
MAPK14 Q16539 2/20 0.37
HTR1A P08908 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HTR3A P46098 1/20 0.36
UGCG Q16739 1/20 0.36
ABL1 P00519 1/20 0.31
THRB P10828 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
MAOB P27338 1/20 0.30
KCNK3 O14649 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
SCHEMBL29514207 0.80 CSNK1D (0.42) CSNK1DCSNK1A1CSNK1ETNIKMAPK14
SCHEMBL29514172 0.73 CSNK1A1 (0.39) CSNK1DCSNK1A1CSNK1ETNIKHTR1A
SCHEMBL29513353 0.73 CSNK1D (0.56) CSNK1DCSNK1A1CSNK1ETNIKMAPK14
SCHEMBL29514039 0.72 CSNK1D (0.61) CSNK1DCSNK1A1CSNK1ETNIKMAPK14
SCHEMBL30404081 0.71 CSNK1D (0.66) CSNK1DCSNK1A1CSNK1ETNIKMAPK14
SCHEMBL29514348 0.68 MAPK14 (0.32) CSNK1DMAPK14THRB
SCHEMBL2522830 0.66 THRB (0.53) CSNK1DCSNK1EMAPK14THRB
SCHEMBL29514170 0.66 TGFBR1 (0.37) MAPK14THRB
SCHEMBL2527330 0.66 HTR3A (0.36) MAPK14HTR3AUGCG
SCHEMBL2522571 0.65 THRB (0.49) CSNK1DCSNK1EMAPK14THRB

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-4214214-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN Pharmaceutica NV (BE) 2023-07-26 EP disclosed
WO-2022058920-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2022-03-24 WO disclosed