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SCHEMBL29925610

SCHEMBL29925610

CC(C)(C)OC(=O)NCCOCCOc1cc(-c2nn(C3CCCCO3)c3ccc(C(=O)O)cc23)cc(N2CCOCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 7/20 0.43
▸ BRD4 O60885 2/20 0.37
▸ CNR2 P34972 2/20 0.36
▸ BCHE P06276 1/20 0.36
▸ P2RY14 Q15391 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.35
▸ DDB1 Q16531 1/20 0.33
▸ CRBN Q96SW2 1/20 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
SCHEMBL27032154 1.00 ATR (0.43) ATRBRD4CNR2BCHEP2RY14
SCHEMBL29925518 0.93 ATR (0.40) ATRBRD4CNR2BCHECD274
SCHEMBL27032513 0.93 ATR (0.40) ATRBRD4CNR2BCHECD274
SCHEMBL27032307 0.75 ATR (0.34) ATRCNR2KITFLT3
SCHEMBL29925930 0.75 ATR (0.34) ATRCNR2KITFLT3
SCHEMBL29925939 0.73 KIT (0.43) ATRKITFLT3
SCHEMBL27032614 0.73 KIT (0.43) ATRKITFLT3
SCHEMBL24858387 0.73 ATR (0.43) ATRBRD4CNR2DDB1CRBN
SCHEMBL24858378 0.73 ATR (0.45) ATRBRD4CNR2
SCHEMBL29925841 0.73 ATR (0.45) ATRBRD4CNR2

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