SCHEMBL28634235

SCHEMBL28634235

Cc1ccc(S(=O)(=O)n2ccc3c2ncc2ncn([C@H]4C[C@H](NC(=O)OC(C)(C)C)C4)c23)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 11/20 0.52
JAK2 O60674 3/20 0.39
NAMPT P43490 2/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
RORC P51449 2/20 0.33
KLK7 P49862 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
SCHEMBL30622180 1.00 JAK1 (0.52) JAK1JAK2NAMPTKMT2AMEN1
SCHEMBL30622213 1.00 JAK1 (0.52) JAK1JAK2NAMPTKMT2AMEN1
SCHEMBL28621769 1.00 JAK1 (0.52) JAK1JAK2NAMPTKMT2AMEN1
SCHEMBL2272276 0.87 JAK1 (0.61) JAK1JAK2NAMPTKMT2ATYK2
SCHEMBL2275305 0.86 JAK1 (0.61) JAK1JAK2NAMPTKMT2ATYK2
SCHEMBL31212490 0.86 JAK1 (0.40) JAK1KMT2AL3MBTL1
SCHEMBL26638292 0.84 JAK1 (0.39) JAK1JAK2KMT2APOLBTYK2
SCHEMBL30798109 0.84 JAK1 (0.39) JAK1JAK2KMT2APOLBTYK2
SCHEMBL30052630 0.83 JAK1 (0.41) JAK1JAK2NAMPTKMT2AMEN1
SCHEMBL28830421 0.83 JAK1 (0.41) JAK1JAK2NAMPTKMT2AMEN1

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
CN-113396150-A Tricyclic JANUS kinase 1 inhibitors, compositions and methods thereof 凌科药业(杭州)有限公司 2021-09-14 CN disclosed