SCHEMBL28629657

SCHEMBL28629657

COC(=O)CCCNC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 20/20 1.00
CSNK2B P67870 20/20 1.00
CSNK2A1 P68400 20/20 1.00
CSNK2A3 Q8NEV1 19/20 1.00
CLK2 P49760 7/20 0.91
ALDH1A1 P00352 1/20 0.77
PIM1 P11309 2/20 0.66
PIM2 Q9P1W9 2/20 0.66
CHEK1 O14757 1/20 0.66
GAK O14976 1/20 0.66
DAPK3 O43293 1/20 0.66
DYRK3 O43781 1/20 0.66
ULK1 O75385 1/20 0.66
STK10 O94804 1/20 0.66
CCNB2 O95067 1/20 0.66
CDK1 P06493 1/20 0.66
CCNB1 P14635 1/20 0.66
PHKG2 P15735 1/20 0.66
CCNE1 P24864 1/20 0.66
CDK2 P24941 1/20 0.66

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
SCHEMBL28623291 0.95 CSNK2A2 (1.00) CSNK2A2CSNK2BCSNK2A1CSNK2A3CLK2
SCHEMBL28632430 0.91 CSNK2A2 (1.00) CSNK2A2CSNK2BCSNK2A1CSNK2A3CLK2
SCHEMBL10132088 0.90 CSNK2A2 (0.84) CSNK2A2CSNK2BCSNK2A1CSNK2A3CLK2
SCHEMBL28634067 0.89 CSNK2A2 (1.00) CSNK2A2CSNK2BCSNK2A1CSNK2A3CLK2
SCHEMBL28627523 0.88 CSNK2A2 (1.00) CSNK2A2CSNK2BCSNK2A1CSNK2A3CLK2
SCHEMBL28923020 0.87 CSNK2A2 (1.00) CSNK2A2CSNK2BCSNK2A1CSNK2A3CLK2
SCHEMBL28923699 0.87 CSNK2A2 (1.00) CSNK2A2CSNK2BCSNK2A1CSNK2A3CLK2
SCHEMBL10132104 0.86 CSNK2A2 (1.00) CSNK2A2CSNK2BCSNK2A1CSNK2A3CLK2
SCHEMBL28644973 0.86 CSNK2A2 (1.00) CSNK2A2CSNK2BCSNK2A1CSNK2A3CLK2
SCHEMBL28626021 0.86 CSNK2A2 (1.00) CSNK2A2CSNK2BCSNK2A1CSNK2A3CLK2

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
CN-113444084-A Anti-tumor compound and preparation and application thereof 东南大学 2021-09-28 CN claimed
CN-113444084-A Anti-tumor compound and preparation and application thereof 东南大学 2021-09-28 CN disclosed