SCHEMBL29820092

SCHEMBL29820092

CC(C)c1ccc(C(NC(=O)C2C3CC3CN2C(=O)Cc2cnn[nH]2)c2ccccc2)nc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 8/20 0.33
▸ DRD2 P14416 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL26815954 1.00 CFD (0.33) CFDDRD2MEN1ALDH1A1GAA
SCHEMBL27374232 1.00 CFD (0.33) CFDDRD2MEN1ALDH1A1GAA
SCHEMBL24666023 0.93 DRD2 (0.33) DRD2
SCHEMBL29820410 0.87 CFD (0.35) CFD
SCHEMBL26816158 0.87 CFD (0.35) CFD
SCHEMBL30341445 0.85 CFD (0.35) CFDMEN1ALDH1A1GAAKMT2A
SCHEMBL29820457 0.85 CFD (0.35) CFDMEN1ALDH1A1GAAKMT2A
SCHEMBL26816045 0.85 CFD (0.35) CFDMEN1ALDH1A1GAAKMT2A
SCHEMBL29230659 0.84 CFD (0.35) CFDDRD2
SCHEMBL24665821 0.84 CFD (0.35) CFDDRD2

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-4308095-A1 INHIBITORS OF GLYCOGEN SYNTHASE 1 (GYS1) AND METHODS OF USE THEREOF Maze Therapeutics, Inc. (US) 2024-01-24 — — EP disclosed
WO-2022198196-A1 INHIBITORS OF GLYCOGEN SYNTHASE 1 (GYS1) AND METHODS OF USE THEREOF MAZE THERAPEUTICS, INC. (US) 2022-09-22 — — WO disclosed
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