SCHEMBL21661775

SCHEMBL21661775

CNc1cc(Nc2ccc(C(=O)N3CCC(N4CCOCC4)CC3)cc2OC)nc2[nH]cc(C)c12

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 9/20 0.70
▸ DYRK3 O43781 1/20 0.69
▸ CSNK1E P49674 1/20 0.69
▸ CLK1 P49759 1/20 0.69
▸ CLK2 P49760 1/20 0.69
▸ CLK3 P49761 1/20 0.69
▸ CLK4 Q9HAZ1 1/20 0.69
▸ DYRK1B Q9Y463 1/20 0.69
▸ LRRK2 Q5S007 9/20 0.60
▸ TTK P33981 1/20 0.52
▸ TYK2 P29597 1/20 0.51

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
SCHEMBL21661930 0.92 DYRK1A (0.82) DYRK1ADYRK3CSNK1ECLK1CLK2
SCHEMBL21661773 0.90 DYRK1A (0.71) DYRK1ADYRK3CSNK1ECLK1CLK2
SCHEMBL29492980 0.89 DYRK1A (0.86) DYRK1ADYRK3CSNK1ECLK1CLK2
SCHEMBL21611072 0.89 DYRK1A (0.86) DYRK1ADYRK3CSNK1ECLK1CLK2
SCHEMBL21611018 0.89 DYRK1A (0.66) DYRK1ADYRK3CSNK1ECLK1CLK2
SCHEMBL21661684 0.86 DYRK1A (0.62) DYRK1ADYRK3CSNK1ECLK1CLK2
SCHEMBL21638145 0.84 DYRK1A (0.67) DYRK1ADYRK3CSNK1ECLK1CLK2
SCHEMBL21611057 0.83 DYRK1A (0.84) DYRK1ADYRK3CSNK1ECLK1CLK2
SCHEMBL21610991 0.83 TTK (0.67) DYRK1ADYRK3CSNK1ECLK1CLK2
SCHEMBL29839405 0.83 TTK (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
EP-3604304-A1 PYRROLO-PYRIDINE DERIVATIVE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF PROTEIN KINASE-RELATED DISEASES Daegu-Gyeongbuk Medical Innovation Foundation (KR) 2020-02-05 — — EP disclosed
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