SCHEMBL21738324

SCHEMBL21738324

COc1cc(C(=O)N2CCOCC2)c(F)cc1Nc1nc(C2CC2)c2c(C(F)(F)F)c[nH]c2n1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 15/20 0.63
▸ DYRK1A Q13627 5/20 0.59
▸ DYRK3 O43781 1/20 0.49
▸ CSNK1E P49674 1/20 0.49
▸ CLK1 P49759 1/20 0.49
▸ CLK2 P49760 1/20 0.49
▸ CLK3 P49761 1/20 0.49
▸ CLK4 Q9HAZ1 1/20 0.49
▸ DYRK1B Q9Y463 1/20 0.49

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
SCHEMBL21738326 0.90 LRRK2 (0.60) LRRK2
SCHEMBL21738321 0.87 LRRK2 (0.57) LRRK2
SCHEMBL21738247 0.87 LRRK2 (0.61) LRRK2DYRK1A
SCHEMBL21738217 0.87 DYRK1A (0.70) LRRK2DYRK1ADYRK3CSNK1ECLK1
SCHEMBL21738422 0.86 DYRK1A (0.67) LRRK2DYRK1ADYRK3CSNK1ECLK1
SCHEMBL21738439 0.85 LRRK2 (0.80) LRRK2
SCHEMBL21738246 0.84 LRRK2 (0.58) LRRK2DYRK1A
SCHEMBL21738336 0.83 DYRK1A (0.63) LRRK2DYRK1ADYRK3CSNK1ECLK1
SCHEMBL21738427 0.82 DYRK1A (0.56) LRRK2DYRK1ADYRK3CSNK1ECLK1
SCHEMBL21738307 0.82 DYRK1A (0.74) LRRK2DYRK1ADYRK3CSNK1ECLK1

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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