SCHEMBL29026441

SCHEMBL29026441

CC(C)n1cc(-c2cc(F)c3[nH]cc(CC(C)(C)NC(=O)O)c3c2)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.35
▸ PDPK1 O15530 2/20 0.35
▸ CTSK P43235 1/20 0.35
▸ CTSC P53634 1/20 0.35
▸ GSK3B P49841 4/20 0.35
▸ DYRK1A Q13627 4/20 0.35
▸ PRMT5 O14744 1/20 0.35
▸ WDR77 Q9BQA1 1/20 0.35
▸ KAT7 O95251 1/20 0.35
▸ PDK2 Q15119 2/20 0.34
▸ GPER1 Q99527 1/20 0.33
▸ AURKA O14965 1/20 0.32
▸ RPS6KB1 P23443 1/20 0.32
▸ AURKB Q96GD4 1/20 0.32
▸ CREBBP Q92793 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ DDR2 Q16832 1/20 0.32
▸ BTK Q06187 1/20 0.31

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
SCHEMBL29026421 0.83 GSK3B (0.42) PDPK1CTSKCTSCGSK3BDYRK1A
SCHEMBL25382912 0.79 KAT7 (0.38) MAPK1PDPK1CTSKCTSCGSK3B
SCHEMBL30391950 0.75 GSK3B (0.36) MAPK1PDPK1CTSKCTSCGSK3B
SCHEMBL24208429 0.75 GSK3B (0.36) MAPK1PDPK1CTSKCTSCGSK3B
SCHEMBL24208434 0.73 PRMT5 (0.41) MAPK1PDPK1PRMT5WDR77PDK2
Hydrochloric Acid SCHEMBL30357695 0.72 PRMT5 (0.40) MAPK1PDPK1PRMT5WDR77PDK2
SCHEMBL30392205 0.71 AAK1 (0.33) PDPK1CTSKCTSCGSK3BDYRK1A
Hydrochloric Acid SCHEMBL30391744 0.70 PDPK1 (0.34) MAPK1PDPK1GSK3BDYRK1APRMT5
SCHEMBL24208363 0.68 ALDH1A1 (0.41) GSK3BDYRK1AFGFR1DDR2
SCHEMBL24214149 0.67 GSK3B (0.41) MAPK1GSK3BDYRK1APDK2FGFR1

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-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
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