SCHEMBL25753091

SCHEMBL25753091

COc1c(NC(=O)OC(C)(C)C)ccc2cnn(C3CCOCC3)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.39
NR3C1 P04150 2/20 0.38
AAK1 Q2M2I8 1/20 0.36
PIK3CA P42336 4/20 0.35
MTOR P42345 4/20 0.35
PIK3CG P48736 4/20 0.35
ATR Q13535 2/20 0.35
AURKB Q96GD4 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
PDE1A P54750 4/20 0.35
PDE1B Q01064 4/20 0.35
PDE1C Q14123 4/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
BRD4 O60885 1/20 0.34
LMNA P02545 1/20 0.34
RICTOR Q6R327 1/20 0.34
RPTOR Q8N122 1/20 0.34
MAPKAP1 Q9BPZ7 1/20 0.34
MLST8 Q9BVC4 1/20 0.34

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
SCHEMBL30895047 1.00 MAPK1 (0.39) MAPK1NR3C1AAK1PIK3CAMTOR
SCHEMBL25753440 0.93 GSK3B (0.38) PIK3CAMTORPIK3CGGSK3BDYRK1A
SCHEMBL27199660 0.86 MAPK1 (0.44) MAPK1NR3C1PDE1APDE1BPDE1C
SCHEMBL30895121 0.86 GSK3B (0.36) NR3C1PIK3CAMTORGSK3BDYRK1A
SCHEMBL30860940 0.84 RXRA (0.38) ATRGSK3BDYRK1ABRD4LMNA
SCHEMBL25756633 0.80 GSK3B (0.40) MAPK1PIK3CAPIK3CGATRGSK3B
SCHEMBL30860930 0.80 GSK3B (0.40) MAPK1PIK3CAPIK3CGATRGSK3B
SCHEMBL27199485 0.78 BRD4 (0.38) MAPK1PDE1APDE1BPDE1CBRD4
SCHEMBL30895136 0.77 GSK3B (0.36) PIK3CAPIK3CGATRGSK3BDYRK1A
SCHEMBL31017447 0.77 GSK3B (0.36) PIK3CAPIK3CGATRGSK3BDYRK1A

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-118401516-A TYK2 inhibitors, compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-26 CN disclosed
WO-2023109954-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2023-06-22 WO disclosed