SCHEMBL24501312

SCHEMBL24501312

C[C@]1(O)CC[C@@H](COc2nnc(N)s2)CC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.32
▸ CNR2 P34972 4/20 0.32
▸ POLB P06746 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HSD11B1 P28845 1/20 0.30
▸ GLS O94925 1/20 0.30

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
SCHEMBL24501584 1.00 LRRK2 (0.32) LRRK2CNR2POLBGAAHSD11B1
SCHEMBL29694716 1.00 LRRK2 (0.32) LRRK2CNR2POLBGAAHSD11B1
SCHEMBL22717781 0.84 POLB (0.40) POLBGAAGLS
SCHEMBL24501232 0.82 KDM5A (0.33) LRRK2POLBGAA
SCHEMBL24501494 0.80 POLB (0.47) POLBGAAGLS
SCHEMBL19449335 0.80 POLB (0.44) POLBGAAGLS
SCHEMBL24500857 0.78 POLB (0.35) POLBGAA
SCHEMBL24501285 0.77 POLB (0.35) POLBGAAGLS
SCHEMBL24501049 0.76 DHFR (0.39) POLBGAAGLS
SCHEMBL29108540 0.74 FEN1 (0.35) CNR2POLBGAAGLS

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
WO-2022118210-A1 SUBSTITUTED THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2022-06-09 — — WO disclosed
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