SCHEMBL30400429

SCHEMBL30400429

CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(-c3c[nH]c4nc(NC(=O)c5ccncc5)ccc34)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 2/20 0.39
▸ DYRK2 Q92630 1/20 0.35
▸ NAMPT P43490 6/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ GPR119 Q8TDV5 2/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ HTR1D P28221 1/20 0.34
▸ HTR1B P28222 1/20 0.34
▸ HTR1F P30939 1/20 0.34
▸ CRBN Q96SW2 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ PKM P14618 1/20 0.33
▸ TBK1 Q9UHD2 1/20 0.33
▸ CDC7 O00311 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ CDK8 P49336 1/20 0.33

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
SCHEMBL26176386 1.00 JAK1 (0.39) JAK1DYRK2NAMPTROCK2GPR119
SCHEMBL26176177 0.89 HTR1A (0.42) HTR1AHTR1DHTR1BHTR1FCDC7
SCHEMBL30399856 0.89 HTR1A (0.42) HTR1AHTR1DHTR1BHTR1FCDC7
SCHEMBL25263374 0.85 MAPKAPK2 (0.42) HTR1AHTR1DHTR1BHTR1FMAPK1
SCHEMBL30398369 0.85 MAPKAPK2 (0.42) HTR1AHTR1DHTR1BHTR1FMAPK1
SCHEMBL30400627 0.78 MAPK1 (0.43) JAK1NAMPTROCK2MAPK1PKM
SCHEMBL26176370 0.78 MAPK1 (0.43) JAK1NAMPTROCK2MAPK1PKM
SCHEMBL26176371 0.77 DYRK1A (0.45) JAK1DYRK2NAMPTROCK2HDAC1
SCHEMBL30399669 0.77 DYRK1A (0.45) JAK1DYRK2NAMPTROCK2HDAC1
SCHEMBL30399299 0.76 DYRK1A (0.42) JAK1HTR1AHTR1DHTR1BHTR1F

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 disclosed
WO-2023064349-A1 1H-PYRROLO[2,3-B]PYRIDINES AS DYRK1A INHIBITORS BIOSPLICE THERAPEUTICS, INC. (US) 2023-04-20 — — WO disclosed
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