SCHEMBL24501412

SCHEMBL24501412

Nc1nnc(OC[C@H]2CC[C@H](OC(F)F)CC2)s1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.34
▸ LRRK2 Q5S007 2/20 0.32
▸ POLB P06746 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ ACACB O00763 1/20 0.31

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
SCHEMBL24501417 1.00 BACE1 (0.34) BACE1LRRK2POLBGAAACACB
SCHEMBL22717781 0.84 POLB (0.40) POLBGAA
SCHEMBL24500857 0.81 POLB (0.35) BACE1POLBGAA
SCHEMBL24501285 0.80 POLB (0.35) POLBGAA
SCHEMBL19449335 0.80 POLB (0.44) POLBGAA
SCHEMBL24501494 0.80 POLB (0.47) POLBGAA
SCHEMBL24501232 0.77 KDM5A (0.33) LRRK2POLBGAAACACB
SCHEMBL24501049 0.76 DHFR (0.39) POLBGAA
SCHEMBL24500874 0.74 POLB (0.35) POLBGAA
SCHEMBL27293926 0.74 POLB (0.35) POLBGAA

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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