SCHEMBL24200770

SCHEMBL24200770

COc1ccc(CN([C@H]2C[C@@H](N(C)C(=O)OC(C)(C)C)C2)S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.42
▸ LTB4R2 Q9NPC1 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ CCR2 P41597 1/20 0.41
▸ BMP1 P13497 1/20 0.41
▸ CACNA1B Q00975 2/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CACNA1C Q13936 1/20 0.40
▸ TAS2R14 Q9NYV8 1/20 0.40
▸ RORC P51449 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL28647737 0.81 MAPT (0.44) MAPTLTB4R2L3MBTL1CCR2BMP1
SCHEMBL22436191 0.81 CNR1 (0.57) MAPTL3MBTL1CACNA1BCACNA1CTAS2R14
SCHEMBL28645985 0.80 TAS2R14 (0.47) MAPTLTB4R2L3MBTL1HTR6BMP1
SCHEMBL1498496 0.72 HTR6 (0.44) HTR6CACNA1BCA1CA2RORC
SCHEMBL29953233 0.69 L3MBTL1 (0.57) MAPTL3MBTL1TAS2R14CNR1CNR2
SCHEMBL8360843 0.69 CNR1 (0.49) MAPTL3MBTL1BMP1TAS2R14RORC
SCHEMBL13932919 0.68 CACNA1B (0.50) CACNA1BALDH1A1
SCHEMBL23012243 0.67 TAS2R14 (0.65) MAPTTAS2R14CNR1CNR2
SCHEMBL4928804 0.67 MAPK1 (0.43) MAPTALDH1A1GAA
SCHEMBL23012376 0.67 TAS2R14 (0.61) MAPTBMP1TAS2R14

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
EP-3939979-A1 JAK KINASE INHIBITOR, PREPARATION METHOD FOR SAME, AND APPLICATIONS THEREOF IN FIELD OF MEDICINE Shanghai Synergy Pharmaceutical Sciences Co., Ltd (CN) 2022-01-19 — — EP disclosed
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