SCHEMBL20434754

SCHEMBL20434754

CC(=O)Nc1nc(F)c(CN2CCCCC2)s1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
CYP2D6 P10635 1/20 0.49
KMT2A Q03164 1/20 0.49
OGA O60502 11/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
DHFR P00374 1/20 0.45
EGFR P00533 1/20 0.45
TRPV4 Q9HBA0 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
PIK3CG P48736 1/20 0.40
CRHR1 P34998 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL21369617 0.99 MEN1 (0.47) MEN1CYP2D6KMT2AOGAKDM4E
SCHEMBL21369470 0.87 ALDH1A1 (0.51) CYP2D6KDM4EALDH1A1TRPV4SMN1; SMN2
SCHEMBL25626468 0.85 ALDH1A1 (0.49) MEN1CYP2D6KMT2AKDM4EALDH1A1
SCHEMBL21369471 0.82 MEN1 (0.47) MEN1CYP2D6KMT2AOGAKDM4E
SCHEMBL21369577 0.81 CRHR1 (0.43) KMT2AKDM4EALDH1A1TRPV4SMN1; SMN2
SCHEMBL24862759 0.80 OGA (0.57) MEN1CYP2D6KMT2AOGAKDM4E
SCHEMBL21369466 0.80 CRHR1 (0.42) KMT2AOGAKDM4EALDH1A1TRPV4
SCHEMBL21370310 0.79 OGA (0.58) OGAKDM4EALDH1A1POLB
SCHEMBL28568842 0.76 OGA (0.53) CYP2D6OGA
SCHEMBL28564168 0.76 OGA (0.70) CYP2D6OGA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023150483-A1 REGIONAL TAU IMAGING FOR DIAGNOSING AND TREATING ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 2023-08-10 WO disclosed
EP-4186899-A1 O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLYCOPYRANOSIDASE INHIBITORS Biogen MA Inc. (US) 2023-05-31 EP disclosed
WO-2023070064-A1 O-GLCNACASE (OGA) INHIBITOR COMBINATION THERAPY ELI LILLY AND COMPANY (US) 2023-04-27 WO disclosed
EP-3829716-B1 5-METHYL-4-FLUORO-THIAZOL-2-YL COMPOUNDS LILLY CO ELI (US) 2023-02-01 EP disclosed
EP-3765458-B1 O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLYCOPYRANOSIDASE INHIBITORS BIOGEN MA INC (US) 2023-01-11 EP disclosed
EP-3630755-B1 5-METHYL-1,3,4-OXADIAZOL-2-YL COMPOUNDS LILLY CO ELI (US) 2022-12-14 EP disclosed
EP-3573983-B1 N-[4-FLUORO-5-[[(2S,4S)-2-METHYL-4-[(5-METHYL-1,2,4-OXADIAZOL-3-YL)METHOXY]-1-PIPERIDYL]METHYL]THIAZOL-2-YL]ACETAMIDE AS OGA INHIBITOR LILLY CO ELI (US) 2021-04-21 EP disclosed
WO-2019178191-A1 O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLYCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. (US) 2019-09-19 WO disclosed
WO-2018140299-A1 N-[4-FLUORO-5-[[(2S,4S)-2-METHYL-4-[(5-METHYL-1,2,4-OXADIAZOL-3-YL)METHOXY]-1-PIPERIDYL]METHYL]THIAZOL-2-YL]ACETAMIDE AS OGA INHIBITOR ELI LILLY AND COMPANY (US) 2018-08-02 WO disclosed