SCHEMBL25925480

SCHEMBL25925480

COc1cc(-c2cc(C(F)(F)F)c(=O)n(C)c2)cc(OC)c1N

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 16/20 0.43
BRD9 Q9H8M2 8/20 0.43
BRD2 P25440 2/20 0.43
BRD7 Q9NPI1 2/20 0.43
CREBBP Q92793 1/20 0.36
AURKA O14965 1/20 0.35
TTK P33981 1/20 0.35
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 1/20 0.35
RAF1 P04049 2/20 0.35
BRAF P15056 2/20 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
SCHEMBL25330749 0.84 BRD4 (0.44) BRD4BRD9BRD2BRD7CREBBP
SCHEMBL25925478 0.78 BRD4 (0.43) BRD4BRD9BRD2BRD7CREBBP
SCHEMBL25925473 0.77 BRD4 (0.48) BRD4BRD9BRD2BRD7CREBBP
SCHEMBL25925604 0.70 BRD9 (0.65) BRD4BRD9BRD2BRD7CREBBP
SCHEMBL25925462 0.69 BRD4 (0.48) BRD4BRD9BRD2BRD7CREBBP
SCHEMBL9323197 0.69 ALDH1A1 (0.54)
SCHEMBL21224833 0.68 BRD4 (0.54) BRD4BRD9BRD2BRD7CREBBP
SCHEMBL23134699 0.67 BRD4 (0.68) BRD4BRD9BRD2BRD7
SCHEMBL22251112 0.67 BRD4 (0.35) BRD4BRD9BRD2BRD7CREBBP
SCHEMBL25925481 0.66 BRD9 (0.41) BRD4BRD9BRD2BRD7CREBBP

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