SCHEMBL23073030

SCHEMBL23073030

COc1cc(-c2cc(NSC)c3c(C(F)(F)F)nn(Cc4ccc(F)cc4)c3c2)cn(C)c1=O

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 12/20 0.44
P2RX7 Q99572 5/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35

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
SCHEMBL23073026 0.93 BRD4 (0.40) BRD4P2RX7
SCHEMBL23473027 0.90 BRD4 (0.46) BRD4P2RX7GRIN1GRIN2B
SCHEMBL23072972 0.89 BRD4 (0.45) BRD4
SCHEMBL18164205 0.88 BRD4 (0.43) BRD4GRIN1GRIN2B
SCHEMBL23073194 0.85 BRD4 (0.34) BRD4
SCHEMBL23073201 0.84 BRD4 (0.40) BRD4GRIN1GRIN2B
SCHEMBL23072953 0.82 BRD4 (0.49) BRD4
SCHEMBL18164208 0.81 BRD4 (0.43) BRD4P2RX7
SCHEMBL18152880 0.78 BRD4 (0.45) BRD4GRIN1GRIN2B
SCHEMBL23073001 0.78 BRD4 (0.43) BRD4P2RX7GRIN1GRIN2B

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