SCHEMBL23073201

SCHEMBL23073201

COc1cc(-c2cc(NSC)c3c(C(F)(F)F)nn(CC4CC4)c3c2)cn(C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 17/20 0.40
BRD9 Q9H8M2 4/20 0.33
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
BRD2 P25440 1/20 0.31
BRD7 Q9NPI1 1/20 0.31
CREBBP Q92793 1/20 0.30

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
SCHEMBL18164212 0.88 BRD4 (0.49) BRD4BRD9BRD2BRD7
SCHEMBL23073194 0.86 BRD4 (0.34) BRD4BRD9BRD2BRD7CREBBP
SCHEMBL23073026 0.84 BRD4 (0.40) BRD4CREBBP
SCHEMBL23073030 0.84 BRD4 (0.44) BRD4GRIN1GRIN2B
SCHEMBL23073054 0.77 BRD4 (0.44) BRD4
SCHEMBL18164209 0.76 BRD4 (0.41) BRD4BRD9BRD2CREBBP
SCHEMBL23073186 0.75 BRD4 (0.36) BRD4BRD9BRD2BRD7CREBBP
SCHEMBL18164213 0.74 BRD4 (0.45) BRD4BRD9BRD2BRD7
SCHEMBL23473027 0.73 BRD4 (0.46) BRD4GRIN1GRIN2B
SCHEMBL23072953 0.73 BRD4 (0.49) BRD4

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-3283077-B1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RES INC (US) 2021-03-10 EP disclosed