SCHEMBL23903267

SCHEMBL23903267

Cc1ccc(F)c(Nc2cc(NC3CC3)n3ncc(/C=C(/C=O)NC(=O)NN)c3n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.46
CSNK2A2 P19784 11/20 0.43
CSNK2B P67870 7/20 0.42
TYK2 P29597 3/20 0.40
CSNK2A1 P68400 6/20 0.39
HIPK2 Q9H2X6 3/20 0.39
DYRK3 O43781 2/20 0.39
CDK2 P24941 1/20 0.39
GSK3B P49841 1/20 0.39
PIM3 Q86V86 1/20 0.39
HIPK1 Q86Z02 2/20 0.37
DYRK2 Q92630 2/20 0.37
HIPK3 Q9H422 2/20 0.37
STK17A Q9UEE5 1/20 0.37
DAPK3 O43293 1/20 0.36
DYRK1A Q13627 1/20 0.36
HIPK4 Q8NE63 1/20 0.36
DYRK4 Q9NR20 1/20 0.36
DAPK2 Q9UIK4 1/20 0.36
DYRK1B Q9Y463 1/20 0.36

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
SCHEMBL12830222 0.75 CSNK2B (0.44) KCNH2CSNK2A2CSNK2BTYK2CSNK2A1
SCHEMBL12645882 0.75 CSNK2A2 (0.47) KCNH2CSNK2A2CSNK2BTYK2CSNK2A1
SCHEMBL1487850 0.74 CSNK2B (0.63) KCNH2CSNK2A2CSNK2BTYK2CSNK2A1
SCHEMBL1487851 0.74 CSNK2B (0.63) KCNH2CSNK2A2CSNK2BTYK2CSNK2A1
SCHEMBL1487862 0.74 CSNK2B (0.62) KCNH2CSNK2A2CSNK2BTYK2CSNK2A1
SCHEMBL12841015 0.73 CSNK2B (0.61) KCNH2CSNK2A2CSNK2BTYK2CSNK2A1
SCHEMBL12830260 0.68 CSNK2B (0.46) KCNH2CSNK2A2CSNK2BTYK2CSNK2A1
SCHEMBL12830267 0.68 CSNK2B (0.44) KCNH2CSNK2A2CSNK2BTYK2CSNK2A1
SCHEMBL12583253 0.67 CSNK2B (0.63) CSNK2A2CSNK2BCSNK2A1
SCHEMBL12829959 0.67 CSNK2A2 (0.44) KCNH2CSNK2A2CSNK2BTYK2CSNK2A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021202115-A1 ANTIVIRAL COMPOUNDS AND METHOD FOR TREATING HEPATOTROPIC VIRAL INFECTION, PARTICULARLY HEPATITIS B AND HEPATITIS D SENHWA BIOSCIENCES, INC. (TW) 2021-10-07 WO disclosed