SCHEMBL30159630

SCHEMBL30159630

CC(C)(C)OC(=O)Nc1cc2ccc(C=O)cc2cn1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.54
▸ DYRK1A Q13627 1/20 0.54
▸ ABL1 P00519 19/20 0.48

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
SCHEMBL23535792 1.00 GSK3B (0.54) GSK3BDYRK1AABL1
SCHEMBL20227778 0.82 ABL1 (0.59) GSK3BDYRK1AABL1
SCHEMBL30636341 0.81 GSK3B (0.60) GSK3BDYRK1AABL1
SCHEMBL28166698 0.81 GSK3B (0.60) GSK3BDYRK1AABL1
SCHEMBL479056 0.81 NAMPT (0.43) GSK3BDYRK1A
SCHEMBL1258539 0.80 ATR (0.47) GSK3BDYRK1A
SCHEMBL2924493 0.80 CA12 (0.48) —
SCHEMBL30381612 0.80 GSK3B (0.54) GSK3BDYRK1AABL1
SCHEMBL25303717 0.80 GSK3B (0.54) GSK3BDYRK1AABL1
SCHEMBL10288086 0.79 GSK3B (0.54) GSK3BDYRK1AABL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4076440-A1 INHIBITORS OF ENL/AF9 YEATS The Rockefeller University (US) 2022-10-26 — — EP disclosed
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