SCHEMBL29834918

SCHEMBL29834918

NC(=O)c1nccnc1NCc1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 3/20 0.55
▸ VNN1 O95497 1/20 0.51
▸ HDAC3 O15379 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ AKT1 P31749 1/20 0.50
▸ GRM4 Q14833 1/20 0.49
▸ CD38 P28907 1/20 0.48
▸ AURKA O14965 2/20 0.47
▸ APP P05067 1/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ JAK1 P23458 1/20 0.46
▸ JAK3 P52333 1/20 0.46
▸ KDR P35968 2/20 0.46
▸ AURKB Q96GD4 1/20 0.45
▸ CDC7 O00311 1/20 0.45
▸ DBF4 Q9UBU7 1/20 0.45
▸ STAT6 P42226 1/20 0.45
▸ EGFR P00533 1/20 0.45

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
SCHEMBL26922246 1.00 RPS6KB1 (0.55) RPS6KB1VNN1HDAC3HDAC1HDAC2
SCHEMBL26923596 0.83 CYP2C9 (0.49) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL26922081 0.83 KDM4E (0.51) RPS6KB1VNN1AKT1AURKAAPP
SCHEMBL29834817 0.83 RPS6KB1 (0.55) RPS6KB1AKT1CD38AURKAKDR
SCHEMBL26923799 0.83 RPS6KB1 (0.55) RPS6KB1AKT1CD38AURKAKDR
SCHEMBL26921026 0.81 RPS6KB1 (0.60) RPS6KB1VNN1HDAC3HDAC1HDAC2
SCHEMBL29834915 0.80 EGFR (0.52) RPS6KB1AURKAEGFRNPC1
SCHEMBL26921317 0.80 EGFR (0.52) RPS6KB1AURKAEGFRNPC1
SCHEMBL29834798 0.79 RPS6KB1 (0.48) RPS6KB1VNN1HDAC3HDAC1HDAC2
SCHEMBL26921856 0.79 RPS6KB1 (0.48) RPS6KB1VNN1HDAC3HDAC1HDAC2

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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