SCHEMBL8646277

SCHEMBL8646277

c1ccc2nc3ncnn3cc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.39
CLK2 P49760 1/20 0.39
LIMK1 P53667 1/20 0.39
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
PDE10A Q9Y233 1/20 0.38
ALDH1A1 P00352 7/20 0.37
MAPT P10636 3/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
ACHE P22303 1/20 0.37
GAA P10253 2/20 0.36
CYP2C19 P33261 1/20 0.36
EGFR P00533 1/20 0.35
KDM4E B2RXH2 6/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL8646027 0.67 DYRK1A (0.45) DYRK1APDE10AALDH1A1GAAKDM4E
SCHEMBL4304728 0.65 ALDH1A1 (0.46) DYRK1AALDH1A1MAPTGLAHPGD
SCHEMBL11469863 0.64 MAP4K4 (0.54) CSNK1A1DYRK1ACLK4DYRK1BPDE10A
SCHEMBL11823273 0.64 ALDH1A1 (0.50) CSNK1A1CLK2LIMK1DYRK1ACLK4
SCHEMBL9538953 0.63 KDM4E (0.62) PDE10AALDH1A1MAPTGLAHPGD
SCHEMBL25276442 0.61 GAA (0.39) PDE10AALDH1A1GAACYP2C19KDM4E
SCHEMBL9933093 0.60 PDE10A (0.45) PDE10AALDH1A1GAACYP2C19KDM4E
SCHEMBL6531686 0.60 ALDH1A1 (0.39) ALDH1A1MAPTGLAHPGDACHE
SCHEMBL5634310 0.60 PDE10A (0.45) CSNK1A1CLK2LIMK1DYRK1ACLK4
SCHEMBL8648652 0.60 PDE10A (0.45) PDE10AALDH1A1GAACYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0745154-B1 MULTICOMPONENT SYSTEM FOR MODIFYING, DECOMPOSING OR BLEACHING LIGNIN, LIGNIN-CONTAINING MATERIALS OR SIMILAR SUBSTANCES AND METHOD OF USING THIS SYSTEM LIGNOZYM GMBH (DE) 1998-09-16 EP claimed
EP-0845026-A1 MULTICOMPONENT SYSTEM FOR USE WITH DETERGENT SUBSTANCES CALL, Hans-Peter Dr. (DE) 1998-06-03 EP claimed
WO-1997048786-A1 MULTICOMPONENT SYSTEM FOR USE WITH DETERGENT SUBSTANCES CALL HANS PETER (DE) 1997-12-24 WO claimed