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SCHEMBL29471289

SCHEMBL29471289

Cc1cc2c(N3CCN(C)c4cc(-c5cnn(C)c5)c(C#N)cc43)cc(OCC(=O)O)cc2n(C)c1=O.Cc1cc2c(N3CCN(C)c4cc(-c5cnn(C)c5)c(C#N)cc43)cc(OCC(=O)OC(C)(C)C)cc2n(C)c1=O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 15/20 0.36
▸ CREBBP Q92793 1/20 0.34
▸ PDK2 Q15119 1/20 0.34
▸ PRMT5 O14744 2/20 0.34
▸ WDR77 Q9BQA1 2/20 0.34
▸ USP30 Q70CQ3 1/20 0.33

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
SCHEMBL29471251 0.97 RET (0.36) RETCREBBPPRMT5WDR77USP30
SCHEMBL24316581 0.97 RET (0.36) RETCREBBPPRMT5WDR77USP30
SCHEMBL30480849 0.94 CREBBP (0.36) RETCREBBPPDK2USP30
SCHEMBL26113389 0.94 CREBBP (0.36) RETCREBBPPDK2USP30
SCHEMBL26108147 0.85 CREBBP (0.37) RETCREBBPPDK2USP30
SCHEMBL29471231 0.85 CREBBP (0.37) RETCREBBPPDK2USP30
SCHEMBL29471232 0.85 RET (0.42) RET
SCHEMBL26548437 0.85 RET (0.42) RET
SCHEMBL29471198 0.83 GSK3B (0.38) RETCREBBPPRMT5WDR77USP30
SCHEMBL26548496 0.83 GSK3B (0.38) RETCREBBPPRMT5WDR77USP30

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-4210683-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS Aurigene Oncology Limited (IN) 2023-07-19 — — EP disclosed
WO-2022053967-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2022-03-17 — — WO disclosed
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