SCHEMBL28625517

SCHEMBL28625517

CCS(=N)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3[nH]ccc23)c1

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.84
BRD2 P25440 1/20 0.84
ADORA2B P29275 1/20 0.84
TSPO P30536 1/20 0.84
EP300 Q09472 1/20 0.84
BRD3 Q15059 1/20 0.84
BRDT Q58F21 1/20 0.84

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
Mivebresib SCHEMBL29430453 0.91 BRD4 (1.00) BRD4BRD2ADORA2BTSPOEP300
Mivebresib SCHEMBL15068241 0.91 BRD4 (1.00) BRD4BRD2ADORA2BTSPOEP300
Mivebresib SCHEMBL29362711 0.91 BRD4 (1.00) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL15069580 0.90 BRD4 (1.00) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL29745735 0.90 BRD4 (1.00) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL15069573 0.89 BRD4 (1.00) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL15069791 0.89 BRD4 (0.89) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL15069269 0.88 BRD4 (1.00) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL15069631 0.87 BRD4 (1.00) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL15069207 0.86 BRD4 (1.00) BRD4BRD2ADORA2BTSPOEP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109384785-B Pyrrolopyridinone derivatives, preparation method and medical application thereof 浙江海正药业股份有限公司 2021-09-28 CN disclosed