SCHEMBL26832622

SCHEMBL26832622

Cc1n[nH]c(C)c1-c1cccc(S)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AKT2 P31751 2/20 0.62
▸ CHEK1 O14757 1/20 0.62
▸ IKBKB O14920 4/20 0.46
▸ IKBKE Q14164 1/20 0.46
▸ ACVR1 Q04771 1/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ IDO1 P14902 1/20 0.40
▸ FASN P49327 1/20 0.40
▸ HAO2 Q9NYQ3 1/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.39
▸ FTO Q9C0B1 2/20 0.38
▸ PRKCQ Q04759 1/20 0.38
▸ AAK1 Q2M2I8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37

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
SCHEMBL13035810 0.82 AKT2 (0.67) AKT2CHEK1IKBKBIKBKEACVR1
SCHEMBL20213984 0.79 AKT2 (0.62) AKT2CHEK1IKBKBIKBKEACVR1
SCHEMBL16115987 0.79 IKBKB (0.71) AKT2CHEK1IKBKBIKBKEACVR1
SCHEMBL30829475 0.79 AKT2 (0.62) AKT2CHEK1IKBKBIKBKEACVR1
SCHEMBL873114 0.77 AKT2 (1.00) AKT2CHEK1IKBKBIKBKEACVR1
SCHEMBL24732319 0.77 CHEK1 (0.59) AKT2CHEK1IKBKBIKBKEACVR1
SCHEMBL24765276 0.77 CHEK1 (0.59) AKT2CHEK1IKBKEROCK2ROCK1
SCHEMBL26834432 0.77 AKT2 (0.59) AKT2CHEK1IKBKBIKBKEACVR1
SCHEMBL15653783 0.76 AKT2 (0.57) AKT2CHEK1IKBKBIKBKEACVR1
SCHEMBL16209719 0.75 AKT2 (0.79) AKT2CHEK1IKBKBACVR1KMT2A

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
WO-2024057020-A1 ANTI-VIRAL COMPOUNDS Infex Therapeutics Limited (GB) 2024-03-21 — — WO disclosed
WO-2023223055-A1 ANTI-VIRAL COMPOUNDS Infex Therapeutics Limited (GB) 2023-11-23 — — WO disclosed
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