SCHEMBL29930883

SCHEMBL29930883

COc1ccc(-c2cnc3c(c2)c(-c2ccc(OC)cc2)nn3COCC[Si](C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.42
MERTK Q12866 2/20 0.42
AURKA O14965 2/20 0.42
KDR P35968 2/20 0.42
FLT3 P36888 2/20 0.42
RET P07949 1/20 0.42
SRC P12931 1/20 0.42
MAOB P27338 4/20 0.39
TYRO3 Q06418 1/20 0.39
PTPN11 Q06124 1/20 0.37
PDE1B Q01064 1/20 0.37
LMNA P02545 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
MAPT P10636 1/20 0.36
DGAT1 O75907 1/20 0.36
PLK4 O00444 1/20 0.36
DYRK3 O43781 1/20 0.36
MAP4K4 O95819 1/20 0.36
NTRK1 P04629 1/20 0.36
INSR P06213 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
SCHEMBL29930958 0.95 AXL (0.39) AXLMERTKAURKAKDRFLT3
SCHEMBL29930865 0.92 DYRK1A (0.44) AXLMERTKAURKAKDRFLT3
SCHEMBL29930517 0.91 PTPN11 (0.47) AXLMERTKAURKAKDRFLT3
SCHEMBL29930779 0.89 AXL (0.41) AXLMERTKAURKAKDRFLT3
SCHEMBL29930820 0.89 GSK3B (0.41) AXLMERTKTYRO3LMNAMAPT
SCHEMBL29930860 0.84 DYRK1A (0.46) AXLMERTKAURKAKDRFLT3
SCHEMBL29930712 0.84 DYRK1A (0.38) AXLMERTKTYRO3MAPTDGAT1
SCHEMBL29930904 0.83 CLK1 (0.39) MERTKMAPTDGAT1FGFR1GSK3B
SCHEMBL29930818 0.80 HSD17B2 (0.39) KDRFLT3SRCDGAT1MAP4K4
SCHEMBL29930401 0.79 DYRK1B (0.40) AXLMERTKAURKAKDRFLT3

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-2022235097-A1 PHARMACEUTICAL COMPOSITION CONTAINING NOVEL PYRAZOLO[3,4-B]PYRIDINE DERIVATIVE FOR PREVENTION OR TREATMENT OF METABOLIC DISEASE INCLUDING OBESITY AND DIABETES MELLITUS OR NONALCOHOLIC STEATOHEPATITIS 한국화학연구원 2022-11-10 WO disclosed