SCHEMBL29930698

SCHEMBL29930698

Oc1ccc(-c2cnc3[nH]nc(-c4ccccc4)c3c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.60
DYRK1B Q9Y463 4/20 0.60
CLK1 P49759 2/20 0.51
DYRK2 Q92630 2/20 0.51
GSK3B P49841 3/20 0.51
GSK3A P49840 2/20 0.51
USP7 Q93009 1/20 0.49
FGFR1 P11362 1/20 0.49
FGFR2 P21802 1/20 0.49
FGFR3 P22607 1/20 0.49
AXL P30530 3/20 0.47
CDK8 P49336 1/20 0.47
TNIK Q9UKE5 1/20 0.47
RIPK1 Q13546 1/20 0.47
PDPK1 O15530 1/20 0.46
HSP90AB1 P08238 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MMP3 P08254 1/20 0.44
BCL2L1 Q07817 1/20 0.44
SGK1 O00141 1/20 0.44

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
SCHEMBL29930484 0.94 DYRK1B (0.56) DYRK1ADYRK1BCLK1DYRK2GSK3B
SCHEMBL29930893 0.91 GSK3B (0.58) DYRK1ADYRK1BGSK3BGSK3AAXL
SCHEMBL12343726 0.87 DYRK1A (0.57) DYRK1ADYRK1BGSK3BGSK3AFGFR1
SCHEMBL29930310 0.84 DYRK1A (0.61) DYRK1ADYRK1BCLK1DYRK2GSK3B
SCHEMBL29930303 0.81 DYRK1A (0.59) DYRK1ADYRK1BGSK3BGSK3A
SCHEMBL29930317 0.80 DYRK1B (0.68) DYRK1ADYRK1BCLK1DYRK2GSK3B
SCHEMBL29930308 0.80 DYRK1B (0.68) DYRK1ADYRK1BCLK1DYRK2FGFR1
SCHEMBL12343727 0.79 PIM1 (0.58) DYRK1ADYRK1BGSK3BGSK3AFGFR1
SCHEMBL12343735 0.79 CDK2 (0.67) DYRK1AGSK3BFGFR1
SCHEMBL29930661 0.79 DYRK1B (0.69) DYRK1ADYRK1BCLK1DYRK2GSK3B

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
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 claimed
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