SCHEMBL30400199

SCHEMBL30400199

CN1CCC(n2cc(NC(=O)c3cnc4[nH]cc(-c5ccc6c(c5)C5(CCN(C)CC5)CC6=O)c4c3)cn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 16/20 0.44
▸ GSK3B P49841 7/20 0.44
▸ CLK2 P49760 5/20 0.44
▸ CLK3 P49761 5/20 0.44
▸ MAPK7 Q13164 1/20 0.43
▸ CLK1 P49759 3/20 0.42
▸ DYRK1B Q9Y463 2/20 0.42
▸ DYRK2 Q92630 1/20 0.40
▸ MELK Q14680 1/20 0.40
▸ PAK1 Q13153 1/20 0.40
▸ WNT1 P04628 2/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39

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
SCHEMBL26175145 1.00 DYRK1A (0.44) DYRK1AGSK3BCLK2CLK3MAPK7
SCHEMBL26175104 0.95 DYRK1A (0.42) DYRK1AGSK3BCLK2CLK3MAPK7
SCHEMBL30399237 0.95 DYRK1A (0.42) DYRK1AGSK3BCLK2CLK3MAPK7
SCHEMBL30399134 0.95 DYRK1A (0.42) DYRK1AGSK3BCLK2CLK3MAPK7
SCHEMBL26175144 0.95 DYRK1A (0.42) DYRK1AGSK3BCLK2CLK3MAPK7
SCHEMBL26175103 0.89 PAK1 (0.43) DYRK1AGSK3BMAPK7CLK1DYRK1B
SCHEMBL30399503 0.89 PAK1 (0.43) DYRK1AGSK3BMAPK7CLK1DYRK1B
SCHEMBL30399424 0.86 DYRK1A (0.45) DYRK1AGSK3BCLK2CLK3MAPK7
SCHEMBL26177206 0.86 DYRK1A (0.45) DYRK1AGSK3BCLK2CLK3MAPK7
SCHEMBL30400670 0.85 MAPK7 (0.44) DYRK1AGSK3BCLK2CLK3MAPK7

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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