SCHEMBL30977968

SCHEMBL30977968

CC(C)N1c2cc(Br)ccc2N(C)C(=O)[C@H]1C

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.55
CDK9 P50750 12/20 0.46

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
SCHEMBL23662305 0.82 BRD4 (0.55) BRD4CDK9
SCHEMBL30977963 0.79 BRD4 (0.58) BRD4CDK9
SCHEMBL21261349 0.77 BRD4 (0.44) BRD4CDK9
SCHEMBL23662230 0.77 BRD4 (0.44) BRD4CDK9
SCHEMBL28938999 0.72 BRD4 (0.56) BRD4
SCHEMBL15825875 0.72 BRD4 (0.57) BRD4
SCHEMBL28939000 0.72 BRD4 (0.56) BRD4
SCHEMBL23662248 0.72 BRD4 (1.00) BRD4CDK9
SCHEMBL23662196 0.72 BRD4 (1.00) BRD4CDK9
SCHEMBL30977967 0.72 GABRA1 (0.39) 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
CN-118373809-A Quinoxalinone compound and preparation method, pharmaceutical composition and application thereof 徐州医科大学 2024-07-23 CN disclosed