SCHEMBL30242549

SCHEMBL30242549

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.38
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR3A P46098 2/20 0.36
CYP1A2 P05177 1/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
CMKLR1 Q99788 1/20 0.34
IRF3 Q14653 1/20 0.34
STING1 Q86WV6 1/20 0.34
PDE1B Q01064 1/20 0.33
PLA2G4A P47712 1/20 0.33
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32

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
SCHEMBL24012763 1.00 BRD4 (0.38) BRD4MAPTL3MBTL1HTR3ACYP1A2
SCHEMBL24013078 0.92 BRD4 (0.40) BRD4MAPTL3MBTL1HTR3AIRF3
SCHEMBL30242573 0.92 BRD4 (0.40) BRD4MAPTL3MBTL1HTR3AIRF3
SCHEMBL30242548 0.91 BRD4 (0.38) BRD4MAPTL3MBTL1HTR3ACYP1A2
SCHEMBL24012985 0.91 BRD4 (0.38) BRD4MAPTL3MBTL1HTR3ACYP1A2
SCHEMBL30242683 0.89 FLT1 (0.42) BRD4STING1
SCHEMBL24013053 0.85 BRD4 (0.40) BRD4MAPTL3MBTL1HTR3ACMKLR1
SCHEMBL30242740 0.85 BRD4 (0.40) BRD4MAPTL3MBTL1HTR3ACMKLR1
SCHEMBL26741106 0.85 BRD4 (0.40) BRD4MAPTL3MBTL1HTR3APDE1B
SCHEMBL24012967 0.85 BRD4 (0.42) BRD4MAPTL3MBTL1HTR3APDE1B

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-4146658-A1 NEW MACROCYCLIC LRRK2 KINASE INHIBITORS Les Laboratoires Servier (FR) 2023-03-15 EP disclosed