SCHEMBL29026421

SCHEMBL29026421

CC(C)n1cc(-c2ccc3[nH]cc(CC(C)(C)NC(=O)O)c3c2)cn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 6/20 0.42
▸ DYRK1A Q13627 6/20 0.42
▸ PRMT5 O14744 1/20 0.42
▸ WDR77 Q9BQA1 1/20 0.42
▸ ICMT O60725 4/20 0.40
▸ SCN9A Q15858 3/20 0.38
▸ PDPK1 O15530 1/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.36
▸ MKNK2 Q9HBH9 1/20 0.36
▸ WNT1 P04628 2/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ CTSK P43235 1/20 0.34
▸ CTSC P53634 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIP5K1C O60331 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PI4KA P42356 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ PI4KB Q9UBF8 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
SCHEMBL29026441 0.83 MAPK1 (0.35) GSK3BDYRK1APRMT5WDR77PDPK1
SCHEMBL29190392 0.81 PTGS2 (0.38) GSK3BDYRK1AICMTSCN9A
SCHEMBL25335447 0.79 GSK3B (0.46) GSK3BDYRK1APRMT5WDR77PDPK1
SCHEMBL28918253 0.75 HTR1D (0.42) —
SCHEMBL24208378 0.74 GSK3B (0.43) GSK3BDYRK1APRMT5WDR77PDPK1
SCHEMBL30526851 0.74 GSK3B (0.43) GSK3BDYRK1APRMT5WDR77PDPK1
SCHEMBL24214870 0.73 GSK3B (0.45) GSK3BDYRK1APRMT5WDR77MKNK1
SCHEMBL4377009 0.72 MTNR1A (0.41) ICMT
SCHEMBL23207914 0.72 PRMT5 (0.50) GSK3BDYRK1APRMT5WDR77PDPK1
Hydrochloric Acid SCHEMBL25381509 0.71 PRMT5 (0.49) GSK3BDYRK1APRMT5WDR77PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116528862-A Compounds and compositions for the treatment of diseases associated with STING activity 艾福姆德尤股份有限公司 2023-08-01 — — CN disclosed
CN-116157394-A Compounds and compositions for the treatment of diseases associated with STING activity 艾福姆德尤股份有限公司 2023-05-23 — — CN disclosed
Send feedback