SCHEMBL25100451

SCHEMBL25100451

CSc1ncc(COC=O)c(N(C)C)n1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.34
▸ HTT P42858 3/20 0.34
▸ MAPT P10636 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ LMNA P02545 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TP53 P04637 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
SCHEMBL22591153 0.88 MEN1 (0.30) MEN1KMT2A
SCHEMBL21541238 0.77 HTT (0.36) SMN1; SMN2HTTMAPTLMNAMAPK1
SCHEMBL17718026 0.72 ALDH1A1 (0.40) SMN1; SMN2HTTMAPTL3MBTL1LMNA
SCHEMBL27857856 0.71 MAPT (0.34) MAPTMEN1KMT2A
SCHEMBL16120608 0.65 MEN1 (0.33) SMN1; SMN2HTTMAPTL3MBTL1LMNA
SCHEMBL28409735 0.64 POLB (0.32) —
SCHEMBL20528659 0.63 AHR (0.37) LMNAMEN1KMT2AALDH1A1
Formamide SCHEMBL28462456 0.63 POLB (0.38) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL27755208 0.62 POLB (0.42) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL19553576 0.62 PRKCH (0.32) MEN1KMT2A

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
EP-3763717-B1 PYRIDO[4,3-D][1,3]OXAZIN-2-ONE COMPOUNDS AS MUTANT IDH1 AND IDH2 INHIBITORS LILLY CO ELI (US) 2023-03-08 — — EP disclosed
Send feedback