SCHEMBL29930779

SCHEMBL29930779

COc1ccc(-c2nn(COCC[Si](C)(C)C)c3ncc(Br)cc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.41
MERTK Q12866 2/20 0.41
AURKA O14965 2/20 0.41
KDR P35968 2/20 0.41
FLT3 P36888 2/20 0.41
RET P07949 1/20 0.41
SRC P12931 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
PDE1B Q01064 1/20 0.40
DGAT1 O75907 3/20 0.40
TYRO3 Q06418 1/20 0.38
SYK P43405 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
PLK4 O00444 1/20 0.35
DYRK3 O43781 1/20 0.35
MAP4K4 O95819 1/20 0.35
NTRK1 P04629 1/20 0.35
INSR P06213 1/20 0.35

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
SCHEMBL29930815 0.90 AXL (0.41) AXLMERTKKDRSRCDYRK1B
SCHEMBL1592834 0.89 MERTK (0.39) AXLMERTKAURKAKDRFLT3
SCHEMBL29930883 0.89 AXL (0.42) AXLMERTKAURKAKDRFLT3
SCHEMBL29930401 0.88 DYRK1B (0.40) AXLMERTKAURKAKDRFLT3
SCHEMBL29930809 0.88 DGAT1 (0.37) AXLMERTKAURKAKDRFLT3
SCHEMBL29930508 0.86 DGAT1 (0.36) MERTKDYRK1BPDE1BDGAT1DYRK1A
SCHEMBL29930721 0.85 MERTK (0.42) MERTKDGAT1ALDH1A1KDM4EMAPT
SCHEMBL29930958 0.85 AXL (0.39) AXLMERTKAURKAKDRFLT3
SCHEMBL29930865 0.84 DYRK1A (0.44) AXLMERTKAURKAKDRFLT3
SCHEMBL29930775 0.84 MAPT (0.35) DGAT1MEN1KMT2AALDH1A1MAPT

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