SCHEMBL4748255

SCHEMBL4748255

Nc1ccnc2c([AsH]CCO)cnn12

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
DYRK1B Q9Y463 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
SCHEMBL126958 0.72 LMNA (0.32) MAP2K1CLK4DYRK1B
SCHEMBL125285 0.72 NUDT1 (0.37) MAP2K1CLK4DYRK1B
SCHEMBL125976 0.71 SMPD3 (0.50) MAP2K1CLK4DYRK1B
Hydrochloric Acid SCHEMBL6805756 0.70 SMPD3 (0.48) MAP2K1CLK4DYRK1B
SCHEMBL26568859 0.68 KDM4E (0.36) MAP2K1CLK4DYRK1B
SCHEMBL32686016 0.68 KDM4E (0.56) MAP2K1CLK4DYRK1B
SCHEMBL30579310 0.68 SMPD3 (0.35) MAP2K1CLK4DYRK1B
SCHEMBL31548681 0.68 CHEK1 (0.40) MAP2K1CLK4DYRK1B
SCHEMBL1824267 0.67
SCHEMBL6228444 0.67 TYK2 (0.37) MAP2K1CLK4DYRK1B

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-1962789-A1 VOLUMIZING HAIR TREATMENT AGENT Henkel AG & Co. KGaA (DE) 2008-09-03 EP disclosed
WO-2007068308-A1 VOLUMIZING HAIR TREATMENT AGENT HENKEL AG & CO. KGAA (DE) 2007-06-21 WO disclosed