SCHEMBL30400110

SCHEMBL30400110

CN1CCC(Oc2ncnc3ccc(-c4c[nH]c5ncc(C(=O)Nc6cnn(C7CCN(C)CC7)c6)cc45)cc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 7/20 0.48
▸ DYRK1A Q13627 8/20 0.47
▸ GSK3B P49841 4/20 0.47
▸ CLK2 P49760 4/20 0.47
▸ CLK3 P49761 4/20 0.47
▸ MAPK7 Q13164 1/20 0.44
▸ DYRK1B Q9Y463 3/20 0.42
▸ CLK1 P49759 2/20 0.42
▸ DYRK2 Q92630 1/20 0.41
▸ PIK3CD O00329 3/20 0.41
▸ PIK3CA P42336 3/20 0.41
▸ PIK3CB P42338 3/20 0.41
▸ PIK3CG P48736 3/20 0.41

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
SCHEMBL26175153 1.00 MELK (0.48) MELKDYRK1AGSK3BCLK2CLK3
SCHEMBL26175113 0.96 MELK (0.45) MELKDYRK1AGSK3BCLK2CLK3
SCHEMBL30400196 0.96 MELK (0.45) MELKDYRK1AGSK3BCLK2CLK3
SCHEMBL30399215 0.93 MELK (0.46) MELKDYRK1AGSK3BCLK2CLK3
SCHEMBL26175151 0.93 MELK (0.46) MELKDYRK1AGSK3BCLK2CLK3
SCHEMBL26175152 0.88 DYRK1A (0.48) MELKDYRK1AGSK3BCLK2CLK3
SCHEMBL30399094 0.88 DYRK1A (0.48) MELKDYRK1AGSK3BCLK2CLK3
SCHEMBL26175154 0.87 MELK (0.46) MELKDYRK1AGSK3BCLK2CLK3
SCHEMBL30399574 0.87 MELK (0.46) MELKDYRK1AGSK3BCLK2CLK3
SCHEMBL30400105 0.85 DYRK1A (0.52) DYRK1AGSK3BDYRK1BCLK1DYRK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4415817-A1 1H-PYRROLO[2,3-B]PYRIDINES AS DYRK1A INHIBITORS BioSplice Therapeutics, Inc. (US) 2024-08-21 — — EP claimed
WO-2023064349-A1 1H-PYRROLO[2,3-B]PYRIDINES AS DYRK1A INHIBITORS BIOSPLICE THERAPEUTICS, INC. (US) 2023-04-20 — — WO claimed
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