SCHEMBL29482219

SCHEMBL29482219

COc1ccc(C#N)cc1-c1cn(CCC2CC2)c(=O)c2[nH]ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CECR2 Q9BXF3 1/20 1.00
▸ BRD9 Q9H8M2 3/20 0.75
▸ BRD4 O60885 16/20 0.69

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
SCHEMBL29482221 1.00 CECR2 (1.00) CECR2BRD9BRD4
SCHEMBL17749755 1.00 CECR2 (1.00) CECR2BRD9BRD4
SCHEMBL17749870 0.86 BRD9 (1.00) CECR2BRD9BRD4
SCHEMBL24364975 0.86 CECR2 (0.75) CECR2BRD9BRD4
SCHEMBL19657351 0.84 BRD4 (0.82) CECR2BRD9BRD4
SCHEMBL17749852 0.82 BRD4 (1.00) CECR2BRD9BRD4
SCHEMBL17749851 0.82 BRD4 (1.00) CECR2BRD9BRD4
SCHEMBL24363700 0.80 BRD4 (0.86) CECR2BRD9BRD4
SCHEMBL29745713 0.74 BRD4 (1.00) BRD4
SCHEMBL15069366 0.74 BRD4 (1.00) BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115583947-A Substituted pyrrolopyridines as bromodomain inhibitors 基因泰克公司 2023-01-10 — — CN claimed
CN-116003409-A Substituted pyrrolopyridines as bromodomain inhibitors 基因泰克公司 2023-04-25 — — CN disclosed
CN-107207493-B Substituted pyrrolopyridines as bromodomain inhibitors 基因泰克公司 2023-01-20 — — CN disclosed
CN-115583947-A Substituted pyrrolopyridines as bromodomain inhibitors 基因泰克公司 2023-01-10 — — CN disclosed
EP-3218375-B1 SUBSTITUTED PYRROLOPYRDINES AS INHIBITORS OF BROMODOMAIN GENENTECH INC (US) 2022-04-27 — — EP disclosed
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