SCHEMBL29638424

SCHEMBL29638424

CCc1ccccc1-n1[nH]c(=O)c2cnc(Nc3ccc(F)cn3)cc21

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTK Q06187 14/20 0.48
SRC P12931 8/20 0.48
LYN P07948 5/20 0.48
JAK2 O60674 4/20 0.39
JAK1 P23458 4/20 0.39
TYK2 P29597 4/20 0.39
PDE4D Q08499 2/20 0.39
STAT3 P40763 1/20 0.38
JAK3 P52333 1/20 0.38

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
SCHEMBL24557322 1.00 BTK (0.48) BTKSRCLYNJAK2JAK1
SCHEMBL29638493 0.88 BTK (0.44) BTKSRCLYNJAK2JAK1
SCHEMBL29638407 0.88 BTK (0.48) BTKSRCLYNJAK2JAK1
SCHEMBL24557321 0.88 BTK (0.48) BTKSRCLYNJAK2JAK1
SCHEMBL29638410 0.86 JAK1 (0.46) BTKSRCLYNJAK2JAK1
SCHEMBL24557309 0.86 JAK1 (0.46) BTKSRCLYNJAK2JAK1
SCHEMBL24557362 0.85 TYK2 (0.48) BTKSRCLYNJAK2JAK1
SCHEMBL29638386 0.85 TYK2 (0.48) BTKSRCLYNJAK2JAK1
SCHEMBL29638318 0.83 BTK (0.53) BTKSRCLYNJAK2JAK1
SCHEMBL24557265 0.82 JAK1 (0.43) BTKSRCLYNJAK2JAK1

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