SCHEMBL29638362

SCHEMBL29638362

Cc1cc(Nc2cc3c(cn2)c(OCOCC[Si](C)(C)C)nn3-c2ccc(C(N)=O)cc2)nc(C)n1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
TYK2 P29597 3/20 0.34
JAK1 P23458 1/20 0.34
AKR1C3 P42330 1/20 0.34
MAPT P10636 1/20 0.32
TP53 P04637 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
SYK P43405 1/20 0.31
KCNH2 Q12809 1/20 0.31
PIK3CD O00329 2/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 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
SCHEMBL29638354 1.00 NPC1 (0.35) NPC1TYK2JAK1AKR1C3MAPT
SCHEMBL29638374 0.86 PLK1 (0.34) TYK2JAK1MAPTALDH1A1LMNA
SCHEMBL29638457 0.86 SLC34A1 (0.34) TYK2JAK1MAPT
SCHEMBL29638381 0.82 MAPK1 (0.33) TYK2JAK1MAPT
SCHEMBL29638370 0.81 PLK1 (0.44) TYK2JAK1MAPTPIK3CD
SCHEMBL29638348 0.80 PLK1 (0.34) TYK2JAK1MAPT
SCHEMBL29638384 0.72 AKR1C3 (0.39) TYK2JAK1AKR1C3TP53ALDH1A1
SCHEMBL29638408 0.71 PLK1 (0.36) TYK2MAPTTP53ALDH1A1HPGD
SCHEMBL29638349 0.65 PTGS2 (0.38) PIK3CDPIK3CAPIK3CB
SCHEMBL24557281 0.65 KMT2A (0.39) TYK2JAK1AKR1C3MAPTTP53

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