SCHEMBL30399094

SCHEMBL30399094

CN1CCC(n2cc(NC(=O)c3cnc4[nH]cc(-c5ccc6ncnc(N7CCN(C)CC7)c6c5)c4c3)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 10/20 0.48
▸ MELK Q14680 3/20 0.47
▸ GSK3B P49841 3/20 0.47
▸ CLK2 P49760 3/20 0.47
▸ CLK3 P49761 3/20 0.47
▸ DYRK1B Q9Y463 3/20 0.46
▸ CYP3A4 P08684 4/20 0.44
▸ HIF1A Q16665 4/20 0.44
▸ CLK4 Q9HAZ1 3/20 0.44
▸ CLK1 P49759 2/20 0.44
▸ MAPK7 Q13164 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ CYP1A2 P05177 3/20 0.43
▸ TSHR P16473 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43

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
SCHEMBL26175152 1.00 DYRK1A (0.48) DYRK1AMELKGSK3BCLK2CLK3
SCHEMBL26175112 0.95 DYRK1A (0.47) DYRK1AMELKGSK3BCLK2CLK3
SCHEMBL30400619 0.95 DYRK1A (0.47) DYRK1AMELKGSK3BCLK2CLK3
SCHEMBL26175151 0.89 MELK (0.46) DYRK1AMELKGSK3BCLK2CLK3
SCHEMBL30399215 0.89 MELK (0.46) DYRK1AMELKGSK3BCLK2CLK3
SCHEMBL26175154 0.89 MELK (0.46) DYRK1AMELKGSK3BCLK2CLK3
SCHEMBL30399574 0.89 MELK (0.46) DYRK1AMELKGSK3BCLK2CLK3
SCHEMBL30400110 0.88 MELK (0.48) DYRK1AMELKGSK3BCLK2CLK3
SCHEMBL26175153 0.88 MELK (0.48) DYRK1AMELKGSK3BCLK2CLK3
SCHEMBL30398632 0.87 DYRK1A (0.48) DYRK1AMELKGSK3BCLK2CLK3

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
Send feedback