SCHEMBL30400627

SCHEMBL30400627

CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(-c3c[nH]c4ncc(C(=O)O)cc34)cc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.43
▸ AXL P30530 5/20 0.39
▸ SGK1 O00141 4/20 0.39
▸ CAMKK2 Q96RR4 4/20 0.39
▸ JAK1 P23458 2/20 0.39
▸ NAMPT P43490 1/20 0.37
▸ ACACB O00763 1/20 0.37
▸ ACACA Q13085 1/20 0.37
▸ MAP3K11 Q16584 2/20 0.37
▸ JAK2 O60674 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ CLK1 P49759 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ DYRK1B Q9Y463 1/20 0.36
▸ ROCK2 O75116 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
SCHEMBL26176370 1.00 MAPK1 (0.43) MAPK1AXLSGK1CAMKK2JAK1
SCHEMBL30399669 0.86 DYRK1A (0.45) MAPK1AXLJAK1NAMPTJAK2
SCHEMBL26176371 0.86 DYRK1A (0.45) MAPK1AXLJAK1NAMPTJAK2
SCHEMBL30399129 0.80 MAP3K11 (0.53) ACACBACACAMAP3K11
SCHEMBL26174983 0.80 MAP3K11 (0.53) ACACBACACAMAP3K11
SCHEMBL26176386 0.78 JAK1 (0.39) MAPK1JAK1NAMPTPKMDYRK1A
SCHEMBL30400429 0.78 JAK1 (0.39) MAPK1JAK1NAMPTPKMDYRK1A
SCHEMBL26174982 0.76 MAP3K11 (0.51) ACACBACACAMAP3K11
SCHEMBL30400509 0.76 MAP3K11 (0.51) ACACBACACAMAP3K11
SCHEMBL30399632 0.76 EGLN1 (0.43) MAP3K11CLK1DYRK1ADYRK1B

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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