SCHEMBL29638374

SCHEMBL29638374

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.34
MAPT P10636 1/20 0.33
ALOX5 P09917 1/20 0.31
ALDH1A1 P00352 3/20 0.31
LMNA P02545 2/20 0.31
POLB P06746 2/20 0.31
TYK2 P29597 2/20 0.30
JAK1 P23458 1/20 0.30
PIK3CA P42336 1/20 0.30
EPHX2 P34913 1/20 0.30
GLA P06280 1/20 0.30
USP2 O75604 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PDE4A P27815 1/20 0.30
AGO2 Q9UKV8 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL29638457 0.87 SLC34A1 (0.34) PLK1MAPTTYK2JAK1
SCHEMBL29638354 0.86 NPC1 (0.35) MAPTALDH1A1LMNATYK2JAK1
SCHEMBL29638362 0.86 NPC1 (0.35) MAPTALDH1A1LMNATYK2JAK1
SCHEMBL29638381 0.83 MAPK1 (0.33) MAPTTYK2JAK1MAPK1
SCHEMBL29638370 0.82 PLK1 (0.44) PLK1MAPTTYK2JAK1
SCHEMBL29638349 0.80 PTGS2 (0.38) ALOX5PIK3CA
SCHEMBL29638348 0.79 PLK1 (0.34) PLK1MAPTTYK2JAK1
SCHEMBL29638469 0.72 TYK2 (0.40) ALDH1A1LMNAPOLBTYK2PIK3CA
SCHEMBL29638473 0.72 TYK2 (0.40) ALDH1A1LMNAPOLBTYK2PIK3CA
SCHEMBL29638408 0.70 PLK1 (0.36) PLK1MAPTALDH1A1TYK2HSD17B10

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