SCHEMBL29638445

SCHEMBL29638445

COc1cc(-n2[nH]c(=O)c3cnc(Nc4cc(C)nc(C)n4)cc32)ccn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 8/20 0.36
JAK1 P23458 1/20 0.34
BTK Q06187 5/20 0.34
SRC P12931 4/20 0.34
LYN P07948 4/20 0.34
MAT2A P31153 1/20 0.34
MAPT P10636 1/20 0.32
MAP4K4 O95819 1/20 0.32
ABL1 P00519 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
IGF1R P08069 1/20 0.32
LTK P29376 1/20 0.32
KDR P35968 1/20 0.32
MAP2K2 P36507 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
CLK2 P49760 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 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
SCHEMBL24557292 1.00 TYK2 (0.36) TYK2JAK1BTKSRCLYN
SCHEMBL29638414 0.87 TYK2 (0.35) TYK2JAK1BTKSRCLYN
SCHEMBL29638404 0.86 TYK2 (0.40) TYK2JAK1MAPT
SCHEMBL24557308 0.86 TYK2 (0.40) TYK2JAK1MAPT
SCHEMBL29638416 0.84 TYK2 (0.40) TYK2JAK1PIK3C3
SCHEMBL24557269 0.84 TYK2 (0.40) TYK2JAK1PIK3C3
SCHEMBL27199230 0.84 TYK2 (0.40) TYK2JAK1SRCLYNMAPT
SCHEMBL29638376 0.84 TYK2 (0.40) TYK2JAK1SRCLYNMAPT
SCHEMBL29638394 0.83 TYK2 (0.40) TYK2JAK1BTKSRCLYN
SCHEMBL27199231 0.83 TYK2 (0.40) TYK2JAK1BTKSRCLYN

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