SCHEMBL29638360

SCHEMBL29638360

CS(=O)(=O)c1ccccc1-n1[nH]c(=O)c2cnc(NC(=O)C3CC3)cc21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 7/20 0.50
JAK1 P23458 3/20 0.50
JAK2 O60674 1/20 0.50
ABL1 P00519 8/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAP4K1 Q92918 2/20 0.40
STAT3 P40763 1/20 0.40
BRD4 O60885 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL29638346 0.86 ABL1 (0.47) TYK2ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL24557316 0.86 ABL1 (0.47) TYK2ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL29638315 0.85 ABL1 (0.46) TYK2ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL24557318 0.85 ABL1 (0.46) TYK2ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL29638378 0.83 TYK2 (0.46) TYK2JAK2ABL1SMN1; SMN2
SCHEMBL29638385 0.81 ABL1 (0.47) ABL1NPC1RAB9AMAP4K1MAPK1
SCHEMBL24557362 0.77 TYK2 (0.48) TYK2JAK1JAK2STAT3
SCHEMBL29638386 0.77 TYK2 (0.48) TYK2JAK1JAK2STAT3
SCHEMBL24557310 0.76 PIK3CD (0.46) ABL1MAP4K1
SCHEMBL24557268 0.76 TYK2 (0.49) TYK2JAK1JAK2

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