SCHEMBL30399856

SCHEMBL30399856

CN1CCC2(CC1)CC(=O)c1ccc(-c3c[nH]c4nc(NC(=O)c5ccncc5)ccc34)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.42
▸ HTR1D P28221 1/20 0.42
▸ HTR1B P28222 1/20 0.42
▸ HTR1F P30939 1/20 0.42
▸ AURKA O14965 1/20 0.39
▸ TTK P33981 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ INCENP Q9NQS7 1/20 0.39
▸ DYRK1A Q13627 15/20 0.37
▸ WNT1 P04628 4/20 0.37
▸ GSK3B P49841 4/20 0.37
▸ CLK1 P49759 2/20 0.36
▸ MAPKAPK2 P49137 2/20 0.36
▸ CLK4 Q9HAZ1 2/20 0.36
▸ DYRK1B Q9Y463 2/20 0.36
▸ CDC7 O00311 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ MELK Q14680 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36

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
SCHEMBL26176177 1.00 HTR1A (0.42) HTR1AHTR1DHTR1BHTR1FAURKA
SCHEMBL25263374 0.89 MAPKAPK2 (0.42) HTR1AHTR1DHTR1BHTR1FAURKA
SCHEMBL30398369 0.89 MAPKAPK2 (0.42) HTR1AHTR1DHTR1BHTR1FAURKA
SCHEMBL26176386 0.89 JAK1 (0.39) HTR1AHTR1DHTR1BHTR1FDYRK1A
SCHEMBL30400429 0.89 JAK1 (0.39) HTR1AHTR1DHTR1BHTR1FDYRK1A
SCHEMBL26176118 0.85 DYRK1A (0.42) HTR1AHTR1DHTR1BHTR1FDYRK1A
SCHEMBL30399299 0.85 DYRK1A (0.42) HTR1AHTR1DHTR1BHTR1FDYRK1A
SCHEMBL26175764 0.81 ADORA2A (0.43) DYRK1AGSK3BCLK1CLK4DYRK1B
SCHEMBL26175725 0.80 MAP3K11 (0.36) AURKAAURKBDYRK1ADYRK1BCDC7
SCHEMBL30398345 0.80 JAK1 (0.42) HTR1AHTR1DHTR1BHTR1FDYRK1A

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 4 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
EP-4415817-A1 1H-PYRROLO[2,3-B]PYRIDINES AS DYRK1A INHIBITORS BioSplice Therapeutics, Inc. (US) 2024-08-21 — — EP disclosed
WO-2023064349-A1 1H-PYRROLO[2,3-B]PYRIDINES AS DYRK1A INHIBITORS BIOSPLICE THERAPEUTICS, INC. (US) 2023-04-20 — — WO disclosed
Send feedback