SCHEMBL31017447

SCHEMBL31017447

[2H]C([2H])([2H])n1ncc2ccc(NC(=O)OC(C)(C)C)c(OC)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
PIK3CD O00329 1/20 0.33
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
KDR P35968 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CG P48736 1/20 0.33
BACE1 P56817 1/20 0.33
PRKDC P78527 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
ATR Q13535 1/20 0.33
CYP17A1 P05093 1/20 0.32
NR1I2 O75469 1/20 0.32
CACNA1H O95180 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
METAP1 P53582 1/20 0.32

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
SCHEMBL30895136 1.00 GSK3B (0.36) GSK3BDYRK1APIK3CDABL1EGFR
SCHEMBL25756633 0.92 GSK3B (0.40) GSK3BDYRK1APIK3CDABL1EGFR
SCHEMBL30860930 0.92 GSK3B (0.40) GSK3BDYRK1APIK3CDABL1EGFR
SCHEMBL25672474 0.82 MAPK1 (0.39) GSK3BDYRK1APIK3CDABL1EGFR
SCHEMBL25753072 0.82 PIK3CD (0.42) GSK3BDYRK1APIK3CDABL1EGFR
SCHEMBL25753440 0.81 GSK3B (0.38) GSK3BDYRK1APIK3CDABL1EGFR
SCHEMBL30895063 0.80 MAPK1 (0.38) GSK3BDYRK1APIK3CDABL1EGFR
SCHEMBL25750456 0.80 GSK3B (0.37) GSK3BDYRK1APIK3CDABL1ITGA4
SCHEMBL31017361 0.80 GSK3B (0.37) GSK3BDYRK1APIK3CDABL1ITGA4
SCHEMBL25758055 0.80 KDM4E (0.36) GSK3BDYRK1APIK3CDABL1EGFR

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
CN-118401516-A TYK2 inhibitors, compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-26 CN disclosed