SCHEMBL29638420

SCHEMBL29638420

COc1c(Cl)cccc1-n1[nH]c(=O)c2cnc(Nc3ccc(F)cn3)cc21

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 9/20 0.47
LYN P07948 5/20 0.44
TYK2 P29597 8/20 0.42
JAK1 P23458 5/20 0.42
SRC P12931 6/20 0.41
SLC22A12 Q96S37 1/20 0.39
JAK2 O60674 2/20 0.37
PDE4D Q08499 2/20 0.37

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
SCHEMBL29638389 0.90 BTK (0.48) BTKLYNTYK2JAK1SRC
SCHEMBL29638462 0.87 TYK2 (0.41) BTKLYNTYK2JAK1SRC
SCHEMBL24557265 0.85 JAK1 (0.43) BTKLYNTYK2JAK1SRC
SCHEMBL29638331 0.85 JAK1 (0.43) BTKLYNTYK2JAK1SRC
SCHEMBL24557309 0.85 JAK1 (0.46) BTKLYNTYK2JAK1SRC
SCHEMBL29638410 0.85 JAK1 (0.46) BTKLYNTYK2JAK1SRC
SCHEMBL29638443 0.83 TYK2 (0.51) LYNTYK2JAK1SRC
SCHEMBL29638493 0.81 BTK (0.44) BTKLYNTYK2JAK1SRC
SCHEMBL24557321 0.81 BTK (0.48) BTKLYNTYK2JAK1SRC
SCHEMBL29638407 0.81 BTK (0.48) BTKLYNTYK2JAK1SRC

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