SCHEMBL31499250

SCHEMBL31499250

Cc1cc(-c2ccc3c(c2)n(C)c(=O)n3Cc2ccc(C3CO3)c(F)c2)cn(C)c1=O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 18/20 0.58
BRD2 P25440 2/20 0.42
BRD3 Q15059 2/20 0.42
BRDT Q58F21 2/20 0.42
BRD9 Q9H8M2 2/20 0.40
TAF1 P21675 1/20 0.40
BRPF1 P55201 1/20 0.40
EP300 Q09472 1/20 0.40
CREBBP Q92793 1/20 0.40
CECR2 Q9BXF3 1/20 0.40
BAZ2B Q9UIF8 1/20 0.40
BAZ2A Q9UIF9 1/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2B Q13224 2/20 0.40

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
SCHEMBL31499252 0.83 BRD4 (0.52) BRD4BRD2BRD3BRDTBRD9
SCHEMBL31499228 0.82 BRD4 (0.61) BRD4BRD9GRIN1GRIN2B
SCHEMBL31499230 0.82 BRD4 (0.72) BRD4BRD2BRD3BRDTGRIN1
SCHEMBL31499229 0.80 BRD4 (0.69) BRD4BRD2BRD3BRDTBRD9
SCHEMBL31499243 0.79 BRD4 (0.47) BRD4BRD9
SCHEMBL31499257 0.75 BRD4 (0.61) BRD4BRD9GRIN1GRIN2B
SCHEMBL31499236 0.65 BRD4 (0.66) BRD4EP300CREBBP
SCHEMBL19869743 0.63 BRD4 (0.68) BRD4BRD9
SCHEMBL31499258 0.63 BRD4 (0.46) BRD4BRD9
SCHEMBL17844281 0.62 BRD4 (1.00) BRD4EP300CREBBP

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-119504726-A BRD4 inhibitor and preparation method and application thereof 四川大学华西医院 2025-02-25 CN disclosed