SCHEMBL29638542

SCHEMBL29638542

Cc1cc(Nc2cc3c(cn2)c(=O)[nH]n3-c2ccc(Cl)c(Cl)c2)nc(C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 5/20 0.37
GAA P10253 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK13 O15264 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
YES1 P07947 1/20 0.34
LYN P07948 1/20 0.34
HCK P08631 1/20 0.34
FGR P09769 1/20 0.34
KIT P10721 1/20 0.34
BCR P11274 1/20 0.34
SRC P12931 1/20 0.34
JAK3 P52333 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
SCHEMBL24557290 1.00 TYK2 (0.37) TYK2GAAL3MBTL1MEN1ALDH1A1
SCHEMBL29638437 0.90 HPGD (0.40) TYK2GAAMEN1ALDH1A1KMT2A
SCHEMBL29638376 0.89 TYK2 (0.40) TYK2ALDH1A1MAPK13ABL1EGFR
SCHEMBL27199230 0.89 TYK2 (0.40) TYK2ALDH1A1MAPK13ABL1EGFR
SCHEMBL24557293 0.89 CYP11B2 (0.37) TYK2CYP11B2
SCHEMBL29638460 0.89 CYP11B2 (0.37) TYK2CYP11B2
SCHEMBL24557361 0.88 MAPT (0.45) TYK2GAAMEN1KMT2AMAPK13
SCHEMBL24557298 0.87 TYK2 (0.38) TYK2GAAMEN1KMT2AMAPK13
SCHEMBL29638344 0.87 TYK2 (0.38) TYK2GAAMEN1KMT2AMAPK13
SCHEMBL24557258 0.85 NPC1 (0.41) TYK2GAAL3MBTL1MEN1ALDH1A1

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