SCHEMBL29638457

SCHEMBL29638457

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

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC34A1 Q06495 6/20 0.34
MAPT P10636 2/20 0.34
PLK1 P53350 3/20 0.34
EIF2AK4 Q9P2K8 1/20 0.34
TYK2 P29597 2/20 0.32
AXL P30530 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
TSHR P16473 1/20 0.32
RECQL P46063 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.31
EP300 Q09472 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
SCHEMBL29638370 0.91 PLK1 (0.44) MAPTPLK1TYK2JAK1ABCG2
SCHEMBL29638374 0.87 PLK1 (0.34) MAPTPLK1TYK2JAK1
SCHEMBL29638354 0.86 NPC1 (0.35) MAPTTYK2JAK1
SCHEMBL29638362 0.86 NPC1 (0.35) MAPTTYK2JAK1
SCHEMBL29638381 0.84 MAPK1 (0.33) MAPTTYK2JAK1
SCHEMBL29638348 0.80 PLK1 (0.34) MAPTPLK1TYK2JAK1
SCHEMBL29638383 0.79 RARG (0.36) SLC34A1EIF2AK4AXLTYRO3MERTK
SCHEMBL24557251 0.71 JAK2 (0.37) SLC34A1MAPTTYK2JAK2JAK1
SCHEMBL29638415 0.71 JAK2 (0.37) SLC34A1MAPTTYK2JAK2JAK1
SCHEMBL29638408 0.71 PLK1 (0.36) MAPTPLK1TYK2TSHRRECQL

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