SCHEMBL29638469

SCHEMBL29638469

Cc1cc(Nc2cc3c(cn2)c(=O)[nH]n3-c2ccc(S(C)(=O)=O)cc2)nc(C)n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 10/20 0.40
POLB P06746 2/20 0.37
PIK3CA P42336 3/20 0.36
PRKDC P78527 3/20 0.36
PDE4A P27815 1/20 0.36
AGO2 Q9UKV8 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MTOR P42345 2/20 0.34
MPL P40238 1/20 0.33
FYN P06241 1/20 0.33

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
SCHEMBL29638473 1.00 TYK2 (0.40) TYK2POLBPIK3CAPRKDCPDE4A
SCHEMBL29638512 0.89 PLK1 (0.42) TYK2PIK3CAPRKDCMTOR
SCHEMBL24557357 0.89 PLK1 (0.42) TYK2PIK3CAPRKDCMTOR
SCHEMBL29638437 0.87 HPGD (0.40) TYK2KDM4EALDH1A1
SCHEMBL24557258 0.86 NPC1 (0.41) TYK2POLBALDH1A1FYN
SCHEMBL29638464 0.86 NPC1 (0.41) TYK2POLBALDH1A1FYN
SCHEMBL29638414 0.85 TYK2 (0.35) TYK2POLB
SCHEMBL24557251 0.84 JAK2 (0.37) TYK2PIK3CAPRKDCMTOR
SCHEMBL29638468 0.84 TRPV1 (0.39) TYK2KDM4E
SCHEMBL29638415 0.84 JAK2 (0.37) TYK2PIK3CAPRKDCMTOR

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