SCHEMBL24556402

SCHEMBL24556402

CC(C)c1cn(C)c(=O)c2cnccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 12/20 0.44
BRD9 Q9H8M2 3/20 0.43
BRD7 Q9NPI1 3/20 0.43
TAF1 P21675 2/20 0.43
TGFBR1 P36897 2/20 0.43
ACVR1 Q04771 2/20 0.43
CREBBP Q92793 2/20 0.43
CECR2 Q9BXF3 2/20 0.43
BRPF1 P55201 1/20 0.43
BPTF Q12830 1/20 0.43
TAF1L Q8IZX4 1/20 0.43
BAZ2B Q9UIF8 1/20 0.43
ATAD2B Q9ULI0 1/20 0.43
CYP2D6 P10635 1/20 0.43
ACVR2B Q13705 1/20 0.43
BRD8 Q9H0E9 1/20 0.43
KAT2B Q92831 2/20 0.41
NFATC1 O95644 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37

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
SCHEMBL24556359 0.94 BRD4 (0.43) BRD4BRD9BRD7TAF1TGFBR1
SCHEMBL16019431 0.78 DYRK1A (0.56) TGFBR1NFATC1GSK3BDYRK1AAURKB
SCHEMBL24654861 0.78 DYRK1A (0.44) TGFBR1CYP2D6NFATC1GSK3BDYRK1A
SCHEMBL23134731 0.78 BRD4 (0.51) BRD4BRD9BRD7TAF1TGFBR1
SCHEMBL12563121 0.78 BRD4 (0.55) BRD4BRD9BRD7TDP1
SCHEMBL22306886 0.77 BRD4 (0.46) BRD4BRD9BRD7TAF1TGFBR1
SCHEMBL16651223 0.77 BRD4 (0.46) BRD4BRD9BRD7TAF1TGFBR1
SCHEMBL23783324 0.77 HASPIN (0.49) BRD4BRD9BRD7TAF1TGFBR1
SCHEMBL24556448 0.75 BRD4 (0.46) BRD4BRD9BRD7TAF1TGFBR1
SCHEMBL19869619 0.74 BRD4 (0.44) BRD4BRD9BRD7TAF1TGFBR1

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-3265453-B1 NEW PYRIDINONES AND ISOQUINOLINONES AS INHIBITORS OF THE BROMODOMAIN BRD9 BOEHRINGER INGELHEIM INT (DE) 2022-06-29 EP disclosed