SCHEMBL21312166

SCHEMBL21312166

O=C(Nc1ccc(C2CCCCCC2)nc1)c1n[nH]c2ccc(-c3cnn(C4CC4)c3)cc12

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 20/20 0.74
GSK3B P49841 19/20 0.74
CLK2 P49760 3/20 0.67
CLK3 P49761 3/20 0.67

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
SCHEMBL21292363 0.85 DYRK1A (1.00) DYRK1AGSK3BCLK2CLK3
SCHEMBL21292248 0.85 DYRK1A (1.00) DYRK1AGSK3BCLK2CLK3
SCHEMBL21292243 0.81 DYRK1A (1.00) DYRK1AGSK3BCLK2CLK3
SCHEMBL21292387 0.80 DYRK1A (1.00) DYRK1AGSK3BCLK2CLK3
SCHEMBL21292299 0.80 DYRK1A (1.00) DYRK1AGSK3BCLK2CLK3
SCHEMBL21292275 0.79 GSK3B (1.00) DYRK1AGSK3BCLK2CLK3
SCHEMBL21292308 0.79 DYRK1A (1.00) DYRK1AGSK3BCLK2CLK3
SCHEMBL21292319 0.78 DYRK1A (1.00) DYRK1AGSK3BCLK2CLK3
Hydrochloric Acid SCHEMBL23533920 0.77 DYRK1A (0.81) DYRK1AGSK3BCLK2CLK3
SCHEMBL21292294 0.77 DYRK1A (1.00) DYRK1AGSK3BCLK2CLK3

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-2019165192-A1 5-HETEROARYL SUBSTITUTED INDAZOLE-3-CARBOXAMIDES AND PREPARATION AND USE THEREOF SAMUMED, LLC (US) 2019-08-29 WO disclosed