SCHEMBL21312232

SCHEMBL21312232

C=C(Nc1ccc(CC2CCN(C)CC2)cc1)c1n[nH]c2ccc(-c3cnc(C)s3)cc12

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 20/20 0.62
GSK3B P49841 16/20 0.62
CLK2 P49760 5/20 0.47
CLK3 P49761 5/20 0.47

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
SCHEMBL21312239 0.87 DYRK1A (0.64) DYRK1AGSK3BCLK2CLK3
SCHEMBL21312153 0.85 DYRK1A (0.62) DYRK1AGSK3BCLK2CLK3
SCHEMBL21312235 0.84 DYRK1A (0.62) DYRK1AGSK3BCLK2CLK3
SCHEMBL21292329 0.77 DYRK1A (1.00) DYRK1AGSK3BCLK2CLK3
SCHEMBL21312214 0.75 DYRK1A (0.60) DYRK1AGSK3BCLK2CLK3
SCHEMBL21312339 0.74 DYRK1A (0.63) DYRK1AGSK3BCLK2CLK3
SCHEMBL21312261 0.73 DYRK1A (0.65) DYRK1AGSK3BCLK2CLK3
SCHEMBL21312612 0.72 DYRK1A (0.66) DYRK1AGSK3BCLK2CLK3
SCHEMBL21312237 0.72 DYRK1A (0.82) DYRK1AGSK3BCLK2CLK3
SCHEMBL21312341 0.72 DYRK1A (0.48) 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