SCHEMBL29930308

SCHEMBL29930308

NC(=O)Nc1ccc(-c2cnc3[nH]nc(-c4ccc(O)cc4)c3c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DYRK1B Q9Y463 11/20 0.68
DYRK1A Q13627 7/20 0.67
CLK1 P49759 6/20 0.67
DYRK2 Q92630 5/20 0.67
PEPD P12955 1/20 0.49
CCNT1 O60563 4/20 0.46
CDK9 P50750 4/20 0.46
CCNA2 P20248 3/20 0.46
CDK2 P24941 3/20 0.46
MAPK1 P28482 1/20 0.45
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR3 P22607 1/20 0.42

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
SCHEMBL29930317 0.88 DYRK1B (0.68) DYRK1BDYRK1ACLK1DYRK2CCNT1
SCHEMBL29930773 0.86 DYRK1B (0.70) DYRK1BDYRK1ACLK1DYRK2CCNT1
SCHEMBL29930484 0.85 DYRK1B (0.56) DYRK1BDYRK1ACLK1DYRK2CCNT1
SCHEMBL29930698 0.80 DYRK1A (0.60) DYRK1BDYRK1ACLK1DYRK2FGFR1
SCHEMBL29930661 0.80 DYRK1B (0.69) DYRK1BDYRK1ACLK1DYRK2CDK2
SCHEMBL29930310 0.77 DYRK1A (0.61) DYRK1BDYRK1ACLK1DYRK2FGFR1
SCHEMBL29930667 0.75 DYRK1B (0.70) DYRK1BDYRK1ACLK1DYRK2CDK2
SCHEMBL29930770 0.72 DYRK1B (0.58) DYRK1BDYRK1ACLK1DYRK2CDK9
SCHEMBL29930893 0.71 GSK3B (0.58) DYRK1BDYRK1ACDK2
SCHEMBL1322717 0.70 PEPD (1.00) PEPDMAPK1

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