SCHEMBL21738330

SCHEMBL21738330

COc1cc(C(=O)N2CCOCC2)ccc1Nc1cc(C2CC2)c2c(C(F)(F)F)c[nH]c2n1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 10/20 0.79
▸ DYRK3 O43781 1/20 0.71
▸ CSNK1E P49674 1/20 0.71
▸ CLK1 P49759 1/20 0.71
▸ CLK2 P49760 1/20 0.71
▸ CLK3 P49761 1/20 0.71
▸ CLK4 Q9HAZ1 1/20 0.71
▸ DYRK1B Q9Y463 1/20 0.71
▸ LRRK2 Q5S007 10/20 0.58
▸ TTK P33981 1/20 0.56

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
SCHEMBL21738302 0.95 DYRK1A (0.81) DYRK1ADYRK3CSNK1ECLK1CLK2
SCHEMBL21738315 0.90 DYRK1A (0.69) DYRK1ADYRK3CSNK1ECLK1CLK2
SCHEMBL29492978 0.89 DYRK1A (0.84) DYRK1ADYRK3CSNK1ECLK1CLK2
SCHEMBL21611057 0.89 DYRK1A (0.84) DYRK1ADYRK3CSNK1ECLK1CLK2
SCHEMBL21611090 0.88 DYRK1A (1.00) DYRK1ADYRK3CSNK1ECLK1CLK2
SCHEMBL29492970 0.88 DYRK1A (1.00) DYRK1ADYRK3CSNK1ECLK1CLK2
SCHEMBL21611069 0.88 DYRK1A (0.78) DYRK1ADYRK3CSNK1ECLK1CLK2
SCHEMBL21738308 0.88 DYRK1A (0.62) DYRK1ADYRK3CSNK1ECLK1CLK2
SCHEMBL21611048 0.87 DYRK1A (0.89) DYRK1ADYRK3CSNK1ECLK1CLK2
SCHEMBL21738422 0.87 DYRK1A (0.67) DYRK1ADYRK3CSNK1ECLK1CLK2

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-2020036437-A1 SUBSTITUTED HETEROARYL DERIVATIVE, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING PROTEIN KINASE-RELATED DISEASES WHICH CONTAINS SAME AS ACTIVE INGREDIENT 재단법인 대구경북첨단의료산업진흥재단 2020-02-20 — — WO disclosed
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