SCHEMBL28630230

SCHEMBL28630230

CC#CCNc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3ccccc23)c1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.71
BRD2 P25440 1/20 0.55
ADORA2B P29275 1/20 0.55
TSPO P30536 1/20 0.55
EP300 Q09472 1/20 0.55
BRD3 Q15059 1/20 0.55
BRDT Q58F21 1/20 0.55

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
SCHEMBL21904895 0.85 BRD4 (0.72) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL21905014 0.83 BRD4 (1.00) BRD4
SCHEMBL21904860 0.82 BRD4 (1.00) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL29848993 0.82 BRD4 (0.77) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL16651923 0.82 BRD4 (0.77) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL16658037 0.82 BRD4 (0.79) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL19930712 0.81 BRD4 (0.68) BRD4
SCHEMBL21904853 0.79 BRD4 (1.00) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL21904986 0.79 BRD4 (1.00) BRD4
SCHEMBL21904881 0.78 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-113226322-A Heterocyclic compounds as BET inhibitors 诺维逊生物股份有限公司 2021-08-06 CN disclosed