SCHEMBL30073231

SCHEMBL30073231

CC=CCn1cc(-c2cccc(C(=O)NC3CC3)c2)c2cc[nH]c2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 12/20 1.00
▸ CECR2 Q9BXF3 5/20 0.78
▸ BRD9 Q9H8M2 5/20 0.72
▸ TAF1 P21675 4/20 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
SCHEMBL17749847 1.00 BRD4 (1.00) BRD4CECR2BRD9TAF1
SCHEMBL17749696 1.00 BRD4 (1.00) BRD4CECR2BRD9TAF1
SCHEMBL17749786 0.90 BRD4 (1.00) BRD4CECR2BRD9TAF1
SCHEMBL17749784 0.90 BRD4 (1.00) BRD4CECR2BRD9TAF1
SCHEMBL30073278 0.88 CECR2 (1.00) BRD4CECR2BRD9TAF1
SCHEMBL19640308 0.88 CECR2 (1.00) BRD4CECR2BRD9TAF1
SCHEMBL19640306 0.88 CECR2 (1.00) BRD4CECR2BRD9TAF1
SCHEMBL17749700 0.85 BRD4 (1.00) BRD4CECR2BRD9TAF1
SCHEMBL17749701 0.85 BRD4 (1.00) BRD4CECR2BRD9TAF1
SCHEMBL17749731 0.84 BRD4 (1.00) BRD4CECR2BRD9

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 4 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
Send feedback