SCHEMBL30073328

SCHEMBL30073328

C=CCCn1cc(-c2ccc(F)c(C(=O)N3CCOCC3)c2)c2cc(C)[nH]c2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CECR2 Q9BXF3 16/20 1.00
▸ BRD9 Q9H8M2 17/20 0.77
▸ BRD4 O60885 13/20 0.77
▸ TAF1 P21675 13/20 0.77

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
SCHEMBL17749885 1.00 CECR2 (1.00) CECR2BRD9BRD4TAF1
SCHEMBL17749846 0.90 CECR2 (1.00) CECR2BRD9BRD4TAF1
SCHEMBL30073280 0.90 CECR2 (1.00) CECR2BRD9BRD4TAF1
SCHEMBL19640297 0.87 CECR2 (1.00) CECR2BRD9BRD4TAF1
SCHEMBL30073306 0.87 CECR2 (1.00) CECR2BRD9BRD4TAF1
SCHEMBL29482213 0.85 CECR2 (1.00) CECR2BRD9BRD4TAF1
SCHEMBL17758520 0.85 CECR2 (1.00) CECR2BRD9BRD4TAF1
SCHEMBL30073332 0.80 BRD9 (1.00) CECR2BRD9BRD4TAF1
SCHEMBL19640331 0.80 BRD9 (1.00) CECR2BRD9BRD4TAF1
SCHEMBL17758607 0.78 CECR2 (1.00) CECR2BRD9BRD4TAF1

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