SCHEMBL29930865

SCHEMBL29930865

COc1ccc(-c2nn(COCC[Si](C)(C)C)c3ncc(-c4ccc(OC)c(OC)c4)cc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.44
DYRK1B Q9Y463 1/20 0.44
KIT P10721 4/20 0.42
AAK1 Q2M2I8 1/20 0.39
AURKA O14965 1/20 0.39
RET P07949 1/20 0.39
SRC P12931 1/20 0.39
AXL P30530 1/20 0.39
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39
MERTK Q12866 1/20 0.39
GAK O14976 2/20 0.38
MAPT P10636 3/20 0.38
PDGFRB P09619 2/20 0.37
PDGFRA P16234 2/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
MEN1 O00255 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
SCHEMBL29930883 0.92 AXL (0.42) DYRK1AAURKARETSRCAXL
SCHEMBL29930958 0.87 AXL (0.39) KITAURKARETSRCAXL
SCHEMBL29930779 0.84 AXL (0.41) DYRK1ADYRK1BAURKARETSRC
SCHEMBL29930517 0.83 PTPN11 (0.47) AURKARETSRCAXLKDR
SCHEMBL29930820 0.81 GSK3B (0.41) AXLMERTKMAPTMEN1KMT2A
SCHEMBL29930860 0.79 DYRK1A (0.46) DYRK1ADYRK1BAURKARETSRC
SCHEMBL29930712 0.77 DYRK1A (0.38) DYRK1ADYRK1BAXLMERTKMAPT
SCHEMBL29930818 0.77 HSD17B2 (0.39) DYRK1ADYRK1BSRCKDRFLT3
SCHEMBL29930904 0.76 CLK1 (0.39) DYRK1ADYRK1BMERTKMAPTFYN
SCHEMBL3489403 0.76 CHEK1 (0.38) AAK1SRCAXLKDRFLT3

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