SCHEMBL30242573

SCHEMBL30242573

COC(=O)c1cc(O)cc(-c2nn(C3CCCCO3)c3ccc(OCCCNC(=O)OCc4ccccc4)cc23)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 1/20 0.40
HTR3A P46098 1/20 0.36
IRF3 Q14653 1/20 0.35
STING1 Q86WV6 1/20 0.35
PDE1B Q01064 1/20 0.35
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
PLA2G4A P47712 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL24013078 1.00 BRD4 (0.40) BRD4L3MBTL1MAPTHTR3AIRF3
SCHEMBL30242549 0.92 BRD4 (0.38) BRD4L3MBTL1MAPTHTR3AIRF3
SCHEMBL24012763 0.92 BRD4 (0.38) BRD4L3MBTL1MAPTHTR3AIRF3
SCHEMBL30242683 0.90 FLT1 (0.42) BRD4STING1PPARG
SCHEMBL26741106 0.88 BRD4 (0.40) BRD4L3MBTL1MAPTHTR3APDE1B
SCHEMBL30242616 0.87 BRD4 (0.42) BRD4L3MBTL1MAPTHTR3APDE1B
SCHEMBL24012967 0.87 BRD4 (0.42) BRD4L3MBTL1MAPTHTR3APDE1B
SCHEMBL24012469 0.87 BRD4 (0.40) BRD4L3MBTL1MAPTHTR3APDE1B
SCHEMBL30242623 0.87 BRD4 (0.40) BRD4L3MBTL1MAPTHTR3APDE1B
SCHEMBL24013053 0.87 BRD4 (0.40) BRD4L3MBTL1MAPTHTR3APDE1B

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
EP-4146658-B1 NEW MACROCYCLIC LRRK2 KINASE INHIBITORS ONCODESIGN PREC MEDICINE OPM (FR) 2025-10-29 EP disclosed
EP-4146658-A1 NEW MACROCYCLIC LRRK2 KINASE INHIBITORS Les Laboratoires Servier (FR) 2023-03-15 EP disclosed