SCHEMBL31661168

SCHEMBL31661168

COC(=O)C1CN(C(=O)OC(C)(C)C)c2cc(Br)ccc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.41
PDE4B Q07343 2/20 0.39
BACE1 P56817 3/20 0.38
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 0.37
RORC P51449 2/20 0.36
ROCK2 O75116 1/20 0.35
UCHL1 P09936 2/20 0.35
FPR2 P25090 2/20 0.35
PTPN1 P18031 1/20 0.35
CDK1 P06493 1/20 0.35
FPR3 P25089 1/20 0.34

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
SCHEMBL22864642 0.86 PDE4B (0.39) USP30PDE4BNR1H2NR1H3PTPN1
SCHEMBL17792475 0.85 USP30 (0.44) USP30BACE1NR1H2NR1H3RORC
SCHEMBL24729177 0.83 USP30 (0.38) USP30PDE4BNR1H2NR1H3UCHL1
SCHEMBL3695799 0.83 KDM1A (0.44) USP30PDE4BNR1H2NR1H3RORC
SCHEMBL29651255 0.83 KDM1A (0.44) USP30PDE4BNR1H2NR1H3RORC
SCHEMBL8209429 0.82 USP30 (0.40) USP30BACE1NR1H2NR1H3RORC
SCHEMBL31147949 0.82 HDAC2 (0.46) USP30PDE4BBACE1NR1H2NR1H3
SCHEMBL8484510 0.82 MAPT (0.45) PDE4BNR1H2NR1H3
SCHEMBL22864662 0.80 CYP1A2 (0.40) PDE4BNR1H2NR1H3PTPN1
SCHEMBL19608074 0.79 USP30 (0.39) USP30PDE4BNR1H2NR1H3

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-2025151602-A1 HETEROARYL COMPOUNDS AS LIGAND DIRECTED DEGRADERS OF IRAK4 BRISTOL-MYERS SQUIBB COMPANY (US) 2025-07-17 WO disclosed