SCHEMBL29638467

SCHEMBL29638467

COc1cc(-n2[nH]c(=O)c3cnc(Nc4ccc(F)cn4)cc32)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 7/20 0.41
LYN P07948 4/20 0.41
JAK1 P23458 4/20 0.39
TYK2 P29597 4/20 0.39
JAK2 O60674 1/20 0.39
PDE4D Q08499 1/20 0.39
SRC P12931 5/20 0.39
SLC22A12 Q96S37 3/20 0.39
SCN9A Q15858 2/20 0.39
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL27199225 1.00 BTK (0.41) BTKLYNJAK1TYK2JAK2
SCHEMBL29638448 0.90 JAK1 (0.41) BTKLYNJAK1TYK2JAK2
SCHEMBL24557295 0.88 BTK (0.43) BTKLYNSRC
SCHEMBL29638577 0.88 BTK (0.43) BTKLYNSRC
SCHEMBL29638427 0.86 SLC22A12 (0.45) JAK1TYK2SLC22A12
SCHEMBL24557272 0.83 BTK (0.45) BTKLYNJAK1TYK2JAK2
SCHEMBL24557294 0.83 BTK (0.41) BTKLYNJAK1TYK2JAK2
SCHEMBL29638480 0.83 BTK (0.45) BTKLYNJAK1TYK2JAK2
SCHEMBL29638402 0.83 BTK (0.41) BTKLYNJAK1TYK2JAK2
SCHEMBL29638376 0.83 TYK2 (0.40) LYNJAK1TYK2SRCMAPT

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