SCHEMBL15540306

SCHEMBL15540306

CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)cc2OCC2CCN(C)C2)c1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.75
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
SCHEMBL15539767 0.93 BRD4 (0.81) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL20135830 0.89 BRD4 (0.70) BRD4
SCHEMBL15541486 0.89 BRD4 (0.75) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL15539424 0.88 BRD4 (0.73) BRD4
SCHEMBL15551534 0.86 BRD4 (0.68) BRD4
SCHEMBL15539146 0.86 BRD4 (1.00) BRD4
SCHEMBL15538566 0.85 BRD4 (1.00) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL15537548 0.84 BRD4 (0.86) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL15540657 0.83 BRD4 (0.83) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL15537395 0.83 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2858990-B1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES ABBVIE INC (US) 2018-05-16 EP claimed
US-9561231-B2 Pyridinone and pyridazinone derivatives ABBVIE INC. (US) 2017-02-07 US claimed
EP-2858990-A1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AbbVie Inc. (US) 2015-04-15 EP claimed
WO-2013188381-A1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES ABBVIE INC. (US) 2013-12-19 WO claimed
EP-2858990-B1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES ABBVIE INC (US) 2018-05-16 EP disclosed
EP-2858990-A1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AbbVie Inc. (US) 2015-04-15 EP disclosed
WO-2013188381-A1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES ABBVIE INC. (US) 2013-12-19 WO disclosed