SCHEMBL4722849

SCHEMBL4722849

COc1cc(OC)cc(-c2cn(-c3cc(Br)ccc3C(F)(F)F)c(=O)c3[nH]ccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 15/20 0.45
BRD9 Q9H8M2 5/20 0.36
BTK Q06187 1/20 0.34
GABBR2 O75899 1/20 0.33
BRD2 P25440 1/20 0.33
EP300 Q09472 1/20 0.33
BRD3 Q15059 1/20 0.33
BRDT Q58F21 1/20 0.33
PBRM1 Q86U86 1/20 0.33
CREBBP Q92793 1/20 0.33
KAT2A Q92830 1/20 0.33
BRD7 Q9NPI1 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33

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
SCHEMBL14102030 0.84 AR (0.37) BRD4BRD9BTKGABBR2BRD2
SCHEMBL4719827 0.80 BRD4 (0.40) BRD4
SCHEMBL4724926 0.80 PDE7A (0.37) BRD4BRD9
SCHEMBL4724930 0.80 PDE7A (0.37) BRD4BRD9
SCHEMBL4723154 0.77 AKR1B10 (0.32)
SCHEMBL4719016 0.77 AKR1B10 (0.33)
SCHEMBL31589737 0.73 BRD4 (0.64) BRD4BRD9EP300PBRM1CREBBP
SCHEMBL4720890 0.71 EGFR (0.33)
SCHEMBL4720875 0.70 BRD4 (0.37) BRD4
SCHEMBL4721608 0.67 AKR1B10 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed