SCHEMBL30575111

SCHEMBL30575111

CCOC(=O)Cc1ncnc2c1ccn2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 4/20 0.38
RAPGEF4 Q8WZA2 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
MAPT P10636 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
RECQL P46063 1/20 0.36

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
SCHEMBL24262373 1.00 L3MBTL1 (0.43) L3MBTL1POLBKDM4EMAPK1HSD17B10
SCHEMBL6726762 0.90 L3MBTL1 (0.44) L3MBTL1POLBKMT2AALDH1A1RAPGEF4
SCHEMBL29247903 0.86 PTGDR2 (0.47) L3MBTL1POLBKDM4ERAPGEF4HTT
SCHEMBL13494114 0.84 L3MBTL1 (0.50) L3MBTL1POLBTSHRALDH1A1RAPGEF4
SCHEMBL13769391 0.82 L3MBTL1 (0.46) L3MBTL1KDM4EKMT2ALMNATSHR
SCHEMBL24262374 0.80 L3MBTL1 (0.43) L3MBTL1POLBKDM4EMAPK1HSD17B10
SCHEMBL4067920 0.80 L3MBTL1 (0.44) L3MBTL1POLBKDM4EKMT2ALMNA
SCHEMBL5264564 0.78 L3MBTL1 (0.50) L3MBTL1POLBKDM4EKMT2ATSHR
SCHEMBL3384671 0.78 L3MBTL1 (0.41) L3MBTL1POLBKDM4EMAPK1HSD17B10
SCHEMBL24262406 0.77 RECQL (0.44) L3MBTL1POLBKDM4EMAPK1HSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118317946-A Processes and intermediates for the preparation of baratinib 因赛特公司 2024-07-09 CN disclosed
CN-117043152-A Methods and intermediates for preparing JAK1 inhibitors 因赛特公司 2023-11-10 CN disclosed
CN-116761792-A Methods and intermediates for preparing JAK inhibitors 因赛特公司 2023-09-15 CN disclosed