SCHEMBL29638405

SCHEMBL29638405

CCc1ccccc1-n1[nH]c(=O)c2cnc(Nc3cc(C)nc(C)n3)cc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTK Q06187 12/20 0.39
TYK2 P29597 3/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
LYN P07948 7/20 0.36
SRC P12931 5/20 0.36
MAPT P10636 1/20 0.35
TP53 P04637 1/20 0.35
MAP4K1 Q92918 1/20 0.34

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
SCHEMBL24557315 1.00 BTK (0.39) BTKTYK2POLBGAALYN
SCHEMBL29638361 0.90 TYK2 (0.38) BTKTYK2POLBGAALYN
SCHEMBL29638379 0.88 TYK2 (0.41) BTKTYK2POLBGAALYN
SCHEMBL29638454 0.88 TYK2 (0.41) BTKTYK2POLBGAALYN
SCHEMBL24557268 0.85 TYK2 (0.49) TYK2POLBGAA
SCHEMBL29638481 0.85 TYK2 (0.49) TYK2POLBGAA
SCHEMBL24557258 0.85 NPC1 (0.41) BTKTYK2POLBGAALYN
SCHEMBL29638464 0.85 NPC1 (0.41) BTKTYK2POLBGAALYN
SCHEMBL24557255 0.84 TYK2 (0.42) BTKTYK2POLBGAALYN
SCHEMBL29638444 0.84 TYK2 (0.38) BTKTYK2POLBGAALYN

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