SCHEMBL29820452

SCHEMBL29820452

CC(C)c1ccc(C(NC(=O)C2CCC(C)N2C(=O)Cc2cnn[nH]2)c2ccccc2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 18/20 0.35
▸ TACR1 P25103 1/20 0.34
▸ BIRC3 Q13489 3/20 0.34
▸ BIRC2 Q13490 3/20 0.34
▸ BIRC8 Q96P09 2/20 0.34

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
SCHEMBL30341283 1.00 XIAP (0.35) XIAPTACR1BIRC3BIRC2BIRC8
SCHEMBL24665652 1.00 XIAP (0.35) XIAPTACR1BIRC3BIRC2BIRC8
SCHEMBL29230882 1.00 XIAP (0.35) XIAPTACR1BIRC3BIRC2BIRC8
SCHEMBL29231053 0.89 XIAP (0.34) XIAPBIRC3BIRC2BIRC8
SCHEMBL26816159 0.89 XIAP (0.34) XIAPBIRC3BIRC2BIRC8
SCHEMBL24666001 0.89 CNR1 (0.32) XIAPTACR1BIRC3BIRC2BIRC8
SCHEMBL29230802 0.89 CNR1 (0.32) XIAPTACR1BIRC3BIRC2BIRC8
SCHEMBL24665653 0.88 CNR1 (0.32) XIAPTACR1BIRC3BIRC2BIRC8
SCHEMBL30341395 0.88 CFD (0.36) —
SCHEMBL29820563 0.88 CFD (0.36) —

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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