SCHEMBL29230559

SCHEMBL29230559

CC(C)c1ccc(C(NC(=O)C2CC(F)CN2C(=O)Cc2cnn[nH]2)c2ccccc2)nc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 16/20 0.35
▸ PSMB9 P28065 1/20 0.34
▸ DRD2 P14416 1/20 0.33
▸ XIAP P98170 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ S1PR1 P21453 1/20 0.32

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
SCHEMBL24665821 1.00 CFD (0.35) CFDPSMB9DRD2XIAPCYP3A4
SCHEMBL29230659 1.00 CFD (0.35) CFDPSMB9DRD2XIAPCYP3A4
SCHEMBL29231341 0.92 CFD (0.38) CFDPSMB9XIAP
SCHEMBL24665428 0.92 CFD (0.38) CFDPSMB9XIAP
SCHEMBL24666217 0.92 CFD (0.38) CFDPSMB9XIAP
SCHEMBL24666276 0.92 CFD (0.38) CFDPSMB9XIAP
SCHEMBL29820836 0.89 EP300 (0.34) CFDPSMB9DRD2XIAPCYP3A4
SCHEMBL29231327 0.89 EP300 (0.34) CFDPSMB9DRD2XIAPCYP3A4
SCHEMBL30341273 0.89 EP300 (0.34) CFDPSMB9DRD2XIAPCYP3A4
SCHEMBL26816491 0.89 EP300 (0.34) CFDPSMB9DRD2XIAPCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117956985-A Inhibitors of glycogen synthase 1 (GYS 1) and methods of use thereof 梅兹治疗公司 2024-04-30 — — CN disclosed
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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