SCHEMBL6322370

SCHEMBL6322370

Nc1n[nH]c2c(O)ncnc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.34
LIMK1 P53667 2/20 0.33
CHEK1 O14757 1/20 0.32
FLT3 P36888 1/20 0.32
PLK3 Q9H4B4 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
PRKDC P78527 1/20 0.31
PI4KA P42356 2/20 0.31
XDH P47989 2/20 0.31
LRRK2 Q5S007 2/20 0.31
PI4K2B Q8TCG2 2/20 0.31
PI4K2A Q9BTU6 2/20 0.31
PI4KB Q9UBF8 2/20 0.31
RET P07949 1/20 0.31
LMNA P02545 1/20 0.31
DRD3 P35462 1/20 0.31
ERAP1 Q9NZ08 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
SCHEMBL6155249 0.83 LIMK1 (0.44) DYRK1ALIMK1CHEK1FLT3PLK3
Hydrochloric Acid SCHEMBL7166188 0.81 PI4KA (0.45) DYRK1ALIMK1CHEK1FLT3PLK3
SCHEMBL11330441 0.76 PDPK1 (0.42)
SCHEMBL14074704 0.73 FFAR2 (0.33) DYRK1ALIMK1
SCHEMBL6672924 0.72 CHEK1 (0.43) DYRK1ALIMK1CHEK1FLT3PLK3
SCHEMBL6205025 0.68 HTT (0.48) PI4KALRRK2PI4K2BPI4K2API4KB
SCHEMBL3113393 0.65 LIMK1 (0.41) DYRK1ALIMK1CHEK1FLT3PLK3
SCHEMBL30515894 0.65 LIMK1 (0.41) DYRK1ALIMK1CHEK1FLT3PLK3
SCHEMBL10563336 0.64
SCHEMBL2598441 0.63 CHEK1 (0.39) DYRK1ALIMK1CHEK1FLT3PLK3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6893470-B1 Keratinous fibre oxidation dyeing composition containing a laccase and dyeing method using same L'OREAL S.A. (FR) 2005-05-17 US claimed