SCHEMBL29638441

SCHEMBL29638441

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.35
CNR1 P21554 1/20 0.31
ACHE P22303 1/20 0.31
CNR2 P34972 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
PDE10A Q9Y233 1/20 0.31
PLK1 P53350 1/20 0.31
NPBWR1 P48145 1/20 0.30
MCHR1 Q99705 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL29638526 0.88 PLK1 (0.40) MAP3K14PDE10APLK1NPBWR1MCHR1
SCHEMBL29638355 0.86 PLK1 (0.41) MAP3K14PDE10APLK1NPBWR1MCHR1
SCHEMBL29638422 0.84 ABHD16A (0.40) CNR1ACHECNR2
SCHEMBL29638403 0.82 MAP3K14 (0.36) MAP3K14
SCHEMBL29638383 0.81 RARG (0.36) PDE10A
SCHEMBL29638349 0.79 PTGS2 (0.38)
SCHEMBL29638375 0.79 MAPK1 (0.32) PDE10A
SCHEMBL29638380 0.74 PIK3CD (0.39) PDE10APLK1NPBWR1MCHR1TSHR
SCHEMBL30279785 0.68 CYP3A4 (0.53) ALOX5APFEN1TSHR
SCHEMBL21055380 0.63 DGAT1 (0.36)

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