SCHEMBL6002944

SCHEMBL6002944

COc1cccc(-c2nc3ncccc3cc2O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.53
DYRK1A Q13627 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
PDE10A Q9Y233 1/20 0.52
ABCG2 Q9UNQ0 4/20 0.48
PIK3CG P48736 1/20 0.47
PDE4A P27815 3/20 0.46
PDE4B Q07343 3/20 0.46
PDE4C Q08493 3/20 0.46
PDE4D Q08499 3/20 0.46
HDAC4 P56524 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
TOP1 P11387 1/20 0.45
MAOB P27338 1/20 0.44
CYP19A1 P11511 1/20 0.44
SUCNR1 Q9BXA5 1/20 0.44
KCNA5 P22460 1/20 0.44

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
SCHEMBL1692394 0.81 DHODH (0.44) HDAC8KDM4EALDH1A1HPGD
SCHEMBL14983473 0.80 PIK3CG (0.55) AURKADYRK1ACLK4PDE10AABCG2
SCHEMBL28317840 0.77 AURKA (0.56) AURKADYRK1ACLK4PDE10AABCG2
SCHEMBL6004865 0.77 L3MBTL1 (0.54) ABCG2KDM4EALDH1A1CYP19A1
SCHEMBL3892242 0.77 COMT (0.43) KDM4EALDH1A1HPGD
SCHEMBL6004768 0.76 KDM4E (0.51) HDAC8KDM4EALDH1A1HPGD
SCHEMBL6004734 0.74 EGFR (0.51)
SCHEMBL6004302 0.74 KDM4E (0.43) KDM4EALDH1A1HPGD
SCHEMBL6004749 0.74 CYP1A2 (0.41) HDAC8KDM4EALDH1A1HPGD
SCHEMBL6004845 0.74 MAPK14 (0.52) KDM4EALDH1A1HPGDTOP1

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
EP-1724268-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-22 EP disclosed