SCHEMBL25925473

SCHEMBL25925473

COc1cc(-c2cn(C)c(=O)c(C(F)(F)F)c2C)cc(OC)c1N

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 15/20 0.48
BRD9 Q9H8M2 14/20 0.48
BRD7 Q9NPI1 9/20 0.48
BRD2 P25440 4/20 0.48
ERN1 O75460 1/20 0.36
TAF1 P21675 1/20 0.35
TGFBR1 P36897 1/20 0.35
BRPF1 P55201 1/20 0.35
ACVR1 Q04771 1/20 0.35
BPTF Q12830 1/20 0.35
TAF1L Q8IZX4 1/20 0.35
CREBBP Q92793 1/20 0.35
CECR2 Q9BXF3 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
ATAD2B Q9ULI0 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
SCHEMBL25925604 0.84 BRD9 (0.65) BRD4BRD9BRD7BRD2ERN1
SCHEMBL25925462 0.82 BRD4 (0.48) BRD4BRD9BRD7BRD2ERN1
SCHEMBL25925480 0.77 BRD4 (0.43) BRD4BRD9BRD7BRD2CREBBP
SCHEMBL25925479 0.76 BRD9 (0.47) BRD4BRD9BRD7BRD2ERN1
SCHEMBL25925475 0.73 BRD9 (0.47) BRD4BRD9BRD7BRD2ERN1
SCHEMBL23134701 0.73 BRD4 (0.70) BRD4BRD9BRD7BRD2ERN1
SCHEMBL25925481 0.71 BRD9 (0.41) BRD4BRD9BRD7BRD2ERN1
SCHEMBL25925478 0.69 BRD4 (0.43) BRD4BRD9BRD7BRD2CREBBP
SCHEMBL23123760 0.68 BRD4 (0.62) BRD4BRD9BRD7BRD2ERN1
SCHEMBL25925521 0.68 BRD4 (0.62) BRD4BRD9BRD7BRD2ERN1

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
WO-2023109892-A1 COMPOUND FOR INHIBITING OR DEGRADING BRD9, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF 海思科医药集团股份有限公司 2023-06-22 WO disclosed