SCHEMBL29037653

SCHEMBL29037653

CC(C)c1nc(Br)cn(C)c1=O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.37
TDP1 Q9NUW8 1/20 0.32
AURKA O14965 1/20 0.31
TTK P33981 1/20 0.31
AURKB Q96GD4 1/20 0.31
INCENP Q9NQS7 1/20 0.31
CCR2 P41597 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
SCHEMBL22016208 0.78 CHRNB2 (0.35) BRD4TDP1
SCHEMBL15934909 0.77 ALDH1A1 (0.37) BRD4TDP1
SCHEMBL171024 0.75 BRD4 (0.40) BRD4AURKATTKAURKBINCENP
SCHEMBL19869652 0.74 BRD4 (0.42) BRD4TDP1AURKATTKAURKB
SCHEMBL13523501 0.73 SYK (0.38) BRD4
SCHEMBL23164339 0.72 BRD4 (0.38) BRD4AURKATTKAURKBINCENP
SCHEMBL11987749 0.72 BRD4 (0.38) BRD4AURKATTKAURKBINCENP
SCHEMBL13512616 0.72 AURKA (0.40) BRD4AURKATTKAURKBINCENP
Bromide SCHEMBL1203957 0.71 BRD4 (0.38) BRD4AURKATTKAURKBINCENP
Bromide SCHEMBL1203956 0.69 BRD4 (0.37) BRD4AURKATTKAURKBINCENP

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-116462635-A Pyrazine-1 (2H) -2-oxo compound and preparation method and application thereof 深圳信立泰药业股份有限公司 2023-07-21 CN disclosed