SCHEMBL29638378

SCHEMBL29638378

COc1ccccc1-n1[nH]c(=O)c2cnc(NC(=O)C3CC3)cc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 5/20 0.46
JAK2 O60674 1/20 0.46
ABL1 P00519 5/20 0.45
GSK3B P49841 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CDK9 P50750 1/20 0.44
MALT1 Q9UDY8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK14 Q16539 1/20 0.43

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 0.87 ABL1 (0.47) TYK2ABL1SMN1; SMN2
SCHEMBL24557316 0.87 ABL1 (0.47) TYK2ABL1SMN1; SMN2
SCHEMBL29638315 0.86 ABL1 (0.46) TYK2ABL1SMN1; SMN2
SCHEMBL24557318 0.86 ABL1 (0.46) TYK2ABL1SMN1; SMN2
SCHEMBL29638360 0.83 TYK2 (0.50) TYK2JAK2ABL1SMN1; SMN2
SCHEMBL29638382 0.82 ABL1 (0.53) TYK2JAK2ABL1GSK3BMEN1
SCHEMBL29638385 0.82 ABL1 (0.47) ABL1GSK3B
SCHEMBL29638459 0.82 ABL1 (0.55) ABL1GSK3BMEN1KMT2A
SCHEMBL29638373 0.79 MAP4K1 (0.48) ABL1GSK3B
SCHEMBL28438070 0.79 TYK2 (0.71) TYK2JAK2

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