SCHEMBL29925930

SCHEMBL29925930

OCCCOCCOc1ccc2c(c1)c(-c1cc(O)cc(N3CCOCC3)c1)nn2C1CCCCO1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ATR Q13535 16/20 0.34
CNR2 P34972 1/20 0.34
LSS P48449 2/20 0.33
KIT P10721 1/20 0.33
FLT3 P36888 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
SCHEMBL27032307 1.00 ATR (0.34) ATRCNR2LSSKITFLT3
SCHEMBL27032614 0.91 KIT (0.43) ATRKITFLT3
SCHEMBL29925939 0.91 KIT (0.43) ATRKITFLT3
SCHEMBL29925929 0.79 CYP4F2 (0.39) CNR2FLT3
SCHEMBL27032089 0.79 CYP4F2 (0.39) CNR2FLT3
SCHEMBL27032444 0.78 SIRT2 (0.44) ATR
SCHEMBL29925612 0.78 SIRT2 (0.44) ATR
SCHEMBL27031993 0.75 CYP4F2 (0.39) ATR
SCHEMBL29926016 0.75 CYP4F2 (0.39) ATR
SCHEMBL29925610 0.75 ATR (0.43) ATRCNR2KITFLT3

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-4308570-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS Les Laboratoires Servier (FR) 2024-01-24 EP disclosed
WO-2022194976-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS LES LABORATOIRES SERVIER (FR) 2022-09-22 WO disclosed