SCHEMBL21605366

SCHEMBL21605366

CC1c2sc(N)c(C#N)c2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
GAA P10253 5/20 0.44
KDM4E B2RXH2 5/20 0.44
BPTF Q12830 2/20 0.43
ADORA1 P30542 2/20 0.40
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 4/20 0.37
HPGD P15428 4/20 0.37
KMT2A Q03164 4/20 0.37
HSD17B10 Q99714 3/20 0.37
ALOX15 P16050 2/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
PTK2B Q14289 1/20 0.37
ESR2 Q92731 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SCN4A P35499 1/20 0.35
RECQL P46063 1/20 0.34
NR1H2 P55055 2/20 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
SCHEMBL21605468 1.00 MAPT (0.44) MAPTGAAKDM4EBPTFADORA1
SCHEMBL21605400 1.00 MAPT (0.44) MAPTGAAKDM4EBPTFADORA1
SCHEMBL21598798 0.81 GAA (0.48) MAPTGAAKDM4EBPTFADORA1
SCHEMBL21605362 0.79 ADORA1 (0.39) MAPTKDM4EADORA1SCN4ANR1H2
SCHEMBL29839803 0.77 ADORA1 (0.61) MAPTGAAKDM4EADORA1ALDH1A1
SCHEMBL27077173 0.77 ADORA1 (0.61) MAPTGAAKDM4EADORA1ALDH1A1
SCHEMBL21598805 0.76 MAPT (0.45) MAPTGAAKDM4EBPTFADORA1
SCHEMBL32682825 0.76 GAA (0.47) MAPTGAAKDM4EBPTFADORA1
SCHEMBL31729875 0.76 GAA (0.47) MAPTGAAKDM4EBPTFADORA1
SCHEMBL32682826 0.76 GAA (0.47) MAPTGAAKDM4EBPTFADORA1

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-3810613-B1 N-SUBSTITUTED TETRAHYDROTHIENOPYRIDINE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2023-01-11 EP disclosed
WO-2019244047-A1 N-SUBSTITUTED TETRAHYDROTHIENOPYRIDINE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2019-12-26 WO disclosed