SCHEMBL31503237

SCHEMBL31503237

CC(C)(C)OC(=O)N1C[C@H]2CNc3ccccc3[C@@H]2C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
RORC P51449 1/20 0.46
BTK Q06187 3/20 0.44
USP30 Q70CQ3 1/20 0.43
GPR119 Q8TDV5 3/20 0.43
NR1H2 P55055 1/20 0.42
EPHX2 P34913 1/20 0.42
NAMPT P43490 1/20 0.41
LIPE Q05469 1/20 0.41
KDM4E B2RXH2 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
PDE4B Q07343 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
SCHEMBL1808601 0.85 USP30 (0.46) MAPK1RORCBTKUSP30GPR119
SCHEMBL1804183 0.85 USP30 (0.46) MAPK1RORCBTKUSP30GPR119
SCHEMBL1804180 0.85 USP30 (0.46) MAPK1RORCBTKUSP30GPR119
SCHEMBL19818347 0.84 USP30 (0.47) MAPK1RORCBTKUSP30GPR119
SCHEMBL4245207 0.82 USP30 (0.41) MAPK1RORCBTKUSP30GPR119
SCHEMBL7710704 0.82 GPR119 (0.56) MAPK1GPR119NAMPTKDM4E
SCHEMBL4246712 0.81 PDE4B (0.45) RORCBTKUSP30LIPEKDM4E
SCHEMBL31503219 0.80 RORC (0.41) MAPK1RORCBTKUSP30LIPE
SCHEMBL2355843 0.78 NR1H2 (0.49) RORCBTKUSP30GPR119NR1H2
SCHEMBL19272699 0.78 NR1H2 (0.49) RORCBTKUSP30GPR119NR1H2

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-2025040569-A1 1,3-DIHYDRO-2H-PYRROLO[3,4-C]QUINOLINE DERIVATIVES AS CGAS INHIBITORS FOR THE TREATMENT OF INFLAMMATORY AND/OR AUTOIMMUNE DISEASES KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2025-02-27 WO claimed
WO-2025040569-A1 1,3-DIHYDRO-2H-PYRROLO[3,4-C]QUINOLINE DERIVATIVES AS CGAS INHIBITORS FOR THE TREATMENT OF INFLAMMATORY AND/OR AUTOIMMUNE DISEASES KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2025-02-27 WO disclosed