SCHEMBL31747397

SCHEMBL31747397

COC(=O)c1cccc(-c2cnn(C(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49
CDK8 P49336 1/20 0.48
SCD O00767 1/20 0.47
ROCK2 O75116 1/20 0.45
NEK1 Q96PY6 5/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
ERN1 O75460 3/20 0.43
AXL P30530 1/20 0.42
PLAU P00749 1/20 0.40
PDK2 Q15119 1/20 0.40
USP30 Q70CQ3 1/20 0.40
GRM5 P41594 1/20 0.40
SDHB P21912 1/20 0.39

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
SCHEMBL13267260 0.85 ROCK2 (0.54) SCDROCK2CA12CA1CA2
SCHEMBL30042393 0.83 ROCK2 (0.48) SCDROCK2
SCHEMBL23649111 0.83 ROCK2 (0.48) SCDROCK2
SCHEMBL17998107 0.82 SCD (0.44) SCDROCK2
SCHEMBL3093032 0.81 ROCK2 (0.50) GABRG2GABRB3GABRA5GABRA3SCD
SCHEMBL23804708 0.81 SCD (0.49) SCDROCK2USP30
SCHEMBL16005879 0.81 SLC2A1 (0.43) SCDROCK2PDK2USP30
SCHEMBL25445548 0.81 ROCK2 (0.56) GABRG2GABRB3GABRA5GABRA3SCD
SCHEMBL17438000 0.81 SCN9A (0.45) SCDROCK2PDK2USP30
SCHEMBL29043852 0.79 ROCK2 (0.43) SCDROCK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025262297-A1 PROTAC DEGRADERS OF MLLT1 AND/OR MLLT3 DARK BLUE THERAPEUTICS LTD (GB) 2025-12-26 WO disclosed
EP-4667467-A1 PROTAC DEGRADERS OF MLLT1 AND/OR MLLT3 Dark Blue Therapeutics Ltd (GB) 2025-12-24 EP disclosed