SCHEMBL31200240

SCHEMBL31200240

O=C1NCc2ccc(C[C@H]3CC[C@H](C(=O)O)CC3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK2 Q16620 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
DYRK1B Q9Y463 2/20 0.43
TYRO3 Q06418 1/20 0.43
GSK3B P49841 2/20 0.39
JAK2 O60674 1/20 0.39
NTRK1 P04629 1/20 0.39
MET P08581 1/20 0.39
FGFR1 P11362 1/20 0.39
PRKACA P17612 1/20 0.39
KDR P35968 1/20 0.39
MAP2K2 P36507 1/20 0.39
FLT3 P36888 1/20 0.39
MAP2K1 Q02750 1/20 0.39
MST1R Q04912 1/20 0.39
NTRK3 Q16288 1/20 0.39
CAMK1D Q8IU85 1/20 0.39
GPR119 Q8TDV5 1/20 0.37
FYN P06241 1/20 0.36
CA12 O43570 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
SCHEMBL31200245 1.00 NTRK2 (0.43) NTRK2CLK4DYRK1BTYRO3GSK3B
SCHEMBL31200303 0.85 GPR119 (0.41) NTRK2CLK4DYRK1BTYRO3GSK3B
SCHEMBL31200293 0.80 PIK3CD (0.35) TAS2R14PLGPLATLMNAVCP
SCHEMBL31199988 0.74 GRK2 (0.37) GPR119LIPG
SCHEMBL27085978 0.73 NTRK2 (0.51) NTRK2CLK4DYRK1BTYRO3GSK3B
Oxalic Acid SCHEMBL2041964 0.72 NTRK2 (0.49) NTRK2CLK4DYRK1BTYRO3GSK3B
SCHEMBL31037780 0.72 NTRK2 (0.49) NTRK2CLK4DYRK1BTYRO3GSK3B
SCHEMBL15967764 0.71 CLK4 (0.48) NTRK2CLK4DYRK1BTYRO3GSK3B
SCHEMBL28115873 0.70 NTRK2 (0.49) NTRK2CLK4DYRK1BTYRO3GSK3B
SCHEMBL27085844 0.70 HDAC6 (0.45) NTRK2CLK4DYRK1BTYRO3GSK3B

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-4709722-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF GENZYME CORPORATION (US) 2026-03-18 EP disclosed
WO-2024233547-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF GENZYME CORPORATION (US) 2024-11-14 WO disclosed