SCHEMBL21445007

SCHEMBL21445007

CCc1ccc2nc(-c3cc(C)c(=O)n(C)c3)n(C[C@H]3CCCN(C(C)=O)C3)c2c1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.79
BRD2 P25440 1/20 0.61
EP300 Q09472 1/20 0.61
BRD3 Q15059 1/20 0.61
BRDT Q58F21 1/20 0.61

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
SCHEMBL18075356 0.93 BRD4 (0.79) BRD4BRD2EP300BRD3BRDT
SCHEMBL18075095 0.93 BRD4 (0.79) BRD4BRD2EP300BRD3BRDT
SCHEMBL18075098 0.93 BRD4 (0.79) BRD4BRD2EP300BRD3BRDT
SCHEMBL21010231 0.93 BRD4 (0.78) BRD4BRD2EP300BRD3BRDT
SCHEMBL21010230 0.93 BRD4 (0.78) BRD4BRD2EP300BRD3BRDT
SCHEMBL21009920 0.93 BRD4 (0.78) BRD4BRD2EP300BRD3BRDT
SCHEMBL18075551 0.91 BRD4 (0.74) BRD4BRD2EP300BRD3BRDT
SCHEMBL18075548 0.91 BRD4 (0.74) BRD4BRD2EP300BRD3BRDT
SCHEMBL20969007 0.89 BRD4 (0.79) BRD4BRD2EP300BRD3BRDT
SCHEMBL19857943 0.89 BRD4 (0.79) BRD4BRD2EP300BRD3BRDT

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
EP-3549939-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-10-09 EP disclosed