SCHEMBL29925939

SCHEMBL29925939

Oc1cc(-c2nn(C3CCCCO3)c3ccc(OCCOCCCOCc4ccccc4)cc23)cc(N2CCOCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIT P10721 9/20 0.43
FLT3 P36888 5/20 0.43
ATR Q13535 3/20 0.41
GPR84 Q9NQS5 1/20 0.36
CNR1 P21554 1/20 0.35
REN P00797 1/20 0.33
PRKDC P78527 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
SCHEMBL27032614 1.00 KIT (0.43) KITFLT3ATRGPR84CNR1
SCHEMBL27032307 0.91 ATR (0.34) KITFLT3ATR
SCHEMBL29925930 0.91 ATR (0.34) KITFLT3ATR
SCHEMBL27032051 0.80 CYP4F2 (0.42) KITFLT3ATRGPR84REN
SCHEMBL27032478 0.76 CYP4F2 (0.39) ATRCNR1
SCHEMBL29925579 0.76 CYP4F2 (0.39) ATRCNR1
SCHEMBL29925612 0.75 SIRT2 (0.44) ATR
SCHEMBL27032444 0.75 SIRT2 (0.44) ATR
SCHEMBL29925929 0.75 CYP4F2 (0.39) FLT3
SCHEMBL27032089 0.75 CYP4F2 (0.39) FLT3

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