SCHEMBL29834838

SCHEMBL29834838

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 5/20 0.50
▸ AURKA O14965 4/20 0.50
▸ CD38 P28907 1/20 0.44
▸ CTSL P07711 9/20 0.44
▸ CTSB P07858 1/20 0.43
▸ AURKB Q96GD4 2/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ STAT6 P42226 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
SCHEMBL26921049 1.00 RPS6KB1 (0.50) RPS6KB1AURKACD38CTSLCTSB
SCHEMBL26923623 0.87 VNN1 (0.43) CD38CTSLCTSB
SCHEMBL26921856 0.86 RPS6KB1 (0.48) RPS6KB1AURKACD38AURKBSTAT6
SCHEMBL29834798 0.86 RPS6KB1 (0.48) RPS6KB1AURKACD38AURKBSTAT6
SCHEMBL26922228 0.84 RPS6KB1 (0.46) RPS6KB1AURKASTAT6
SCHEMBL26923148 0.83 JAK3 (0.42) RPS6KB1AURKACTSLCTSB
SCHEMBL26922757 0.82 RPS6KB1 (0.46) RPS6KB1AURKASTAT6
SCHEMBL29834922 0.81 CTSL (0.46) RPS6KB1AURKACTSLCTSBAURKB
SCHEMBL26922340 0.81 CTSL (0.46) RPS6KB1AURKACTSLCTSBAURKB
SCHEMBL26921986 0.81 AURKA (0.51) RPS6KB1AURKACD38

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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