SCHEMBL29638448

SCHEMBL29638448

COc1cc(-n2[nH]c(=O)c3cnc(Nc4ccc(F)cn4)cc32)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 5/20 0.41
TYK2 P29597 5/20 0.41
JAK2 O60674 2/20 0.41
PDE4D Q08499 2/20 0.41
BTK Q06187 11/20 0.41
SRC P12931 8/20 0.41
LYN P07948 6/20 0.40
HTT P42858 1/20 0.37
SCN9A Q15858 1/20 0.36

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
SCHEMBL29638467 0.90 BTK (0.41) JAK1TYK2JAK2PDE4DBTK
SCHEMBL27199225 0.90 BTK (0.41) JAK1TYK2JAK2PDE4DBTK
SCHEMBL29638427 0.88 SLC22A12 (0.45) JAK1TYK2
SCHEMBL24557272 0.85 BTK (0.45) JAK1TYK2JAK2PDE4DBTK
SCHEMBL29638402 0.85 BTK (0.41) JAK1TYK2JAK2PDE4DBTK
SCHEMBL24557294 0.85 BTK (0.41) JAK1TYK2JAK2PDE4DBTK
SCHEMBL29638480 0.85 BTK (0.45) JAK1TYK2JAK2PDE4DBTK
SCHEMBL24557269 0.85 TYK2 (0.40) JAK1TYK2HTTSCN9A
SCHEMBL29638416 0.85 TYK2 (0.40) JAK1TYK2HTTSCN9A
SCHEMBL24557309 0.84 JAK1 (0.46) JAK1TYK2JAK2PDE4DBTK

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