SCHEMBL29482193

SCHEMBL29482193

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CECR2 Q9BXF3 20/20 1.00
BRD4 O60885 18/20 1.00
TAF1 P21675 18/20 1.00
BRD9 Q9H8M2 18/20 1.00

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
SCHEMBL17758607 1.00 CECR2 (1.00) CECR2BRD4TAF1BRD9
SCHEMBL19640297 0.91 CECR2 (1.00) CECR2BRD4TAF1BRD9
SCHEMBL30073306 0.91 CECR2 (1.00) CECR2BRD4TAF1BRD9
SCHEMBL19657237 0.87 CECR2 (0.79) CECR2BRD4TAF1BRD9
SCHEMBL17758450 0.87 CECR2 (1.00) CECR2BRD4TAF1BRD9
SCHEMBL17749882 0.84 TAF1 (1.00) CECR2BRD4TAF1BRD9
SCHEMBL17749793 0.83 TAF1 (1.00) CECR2BRD4TAF1BRD9
SCHEMBL17758433 0.83 TAF1 (1.00) CECR2BRD4TAF1BRD9
SCHEMBL17758434 0.82 TAF1 (1.00) CECR2BRD4TAF1BRD9
SCHEMBL30073457 0.81 TAF1 (1.00) CECR2BRD4TAF1BRD9

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