SCHEMBL29834922

SCHEMBL29834922

N#Cc1cnc(C#N)c(NCc2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 9/20 0.46
▸ CTSB P07858 1/20 0.44
▸ RPS6KB1 P23443 2/20 0.40
▸ AURKA O14965 1/20 0.40
▸ CLK4 Q9HAZ1 5/20 0.40
▸ DYRK1A Q13627 4/20 0.40
▸ CLK2 P49760 3/20 0.40
▸ CLK1 P49759 2/20 0.40
▸ DYRK1B Q9Y463 1/20 0.40
▸ PDE5A O76074 2/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ RPS6KA5 O75582 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ CHEK2 O96017 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ PRKACA P17612 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ AKT1 P31749 1/20 0.38
▸ AKT2 P31751 1/20 0.38

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
SCHEMBL26922340 1.00 CTSL (0.46) CTSLCTSBRPS6KB1AURKACLK4
SCHEMBL26921355 0.85 KDM4E (0.47) CTSLCTSBMAPK1GAA
SCHEMBL26921200 0.84 KMT2A (0.50) PDE5ACHEK1MAPK1
SCHEMBL29834870 0.84 KMT2A (0.50) PDE5ACHEK1MAPK1
SCHEMBL26921049 0.81 RPS6KB1 (0.50) CTSLCTSBRPS6KB1AURKAAURKB
SCHEMBL29834838 0.81 RPS6KB1 (0.50) CTSLCTSBRPS6KB1AURKAAURKB
SCHEMBL26921371 0.80 MAPT (0.52) CTSLCTSBCLK4DYRK1AMAPK1
SCHEMBL26922448 0.80 HTT (0.38) RPS6KB1AURKAMAPK1GAA
SCHEMBL26921535 0.80 HPGD (0.47) CTSLMAPK1GAA
SCHEMBL26921894 0.78 TSHR (0.55) CTSLPDE5AMAPK1GAA

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
EP-4288539-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASE ASSOCIATED WITH DUX4 OVEREXPRESSION Research Institute at Nationwide Children's Hospital (US) 2023-12-13 — — EP disclosed
WO-2022169922-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASE ASSOCIATED WITH DUX4 OVEREXPRESSION RESEARCH INSTITUTE AT NATIONWIDE CHILDREN'S HOSPITAL (US) 2022-08-11 — — WO disclosed
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