SCHEMBL29638355

SCHEMBL29638355

C[Si](C)(C)CCOCOc1nn(-c2cccc(C#N)c2)c2cc(Cl)ncc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.41
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38
MAP3K14 Q99558 3/20 0.38
PIK3CD O00329 1/20 0.37
RARG P13631 1/20 0.34
MAT2A P31153 2/20 0.34
MAPT P10636 2/20 0.33
GRM5 P41594 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
SLC2A1 P11166 1/20 0.32
SLC2A3 P11169 1/20 0.32
PDE10A Q9Y233 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32

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
SCHEMBL29638383 0.89 RARG (0.36) PIK3CDRARGPDE10A
SCHEMBL29638441 0.86 MAP3K14 (0.35) PLK1NPBWR1MCHR1MAP3K14TSHR
SCHEMBL29638526 0.86 PLK1 (0.40) PLK1NPBWR1MCHR1MAP3K14PIK3CD
SCHEMBL29638422 0.82 ABHD16A (0.40) MAPTALDH1A1HTT
SCHEMBL29638403 0.81 MAP3K14 (0.36) MAP3K14MAPTKDM4EALDH1A1
SCHEMBL29638370 0.80 PLK1 (0.44) PLK1PIK3CDMAPTSLC2A1
SCHEMBL29638349 0.78 PTGS2 (0.38) PIK3CDRARG
SCHEMBL29638375 0.77 MAPK1 (0.32) MAPTKDM4EALDH1A1PDE10A
SCHEMBL29638380 0.69 PIK3CD (0.39) PLK1NPBWR1MCHR1PIK3CDMAPT
SCHEMBL31166643 0.69 TBXAS1 (0.47) GABRG2GABRB3GABRA5GABRA3ICMT

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-2022136914-A1 TYK2 INHIBITORS AND USES THEREOF SUDO BIOSCIENCES LIMITED (GB) 2022-06-30 WO disclosed