SCHEMBL3666124

SCHEMBL3666124

COC(=O)C1COCc2cnc(Nc3ccc(-c4nc(C)c[nH]4)c(OC)c3)nc21

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 10/20 0.39
TNK2 Q07912 1/20 0.37
ROCK2 O75116 5/20 0.37
KDR P35968 5/20 0.36
PDGFRB P09619 2/20 0.36
INSR P06213 1/20 0.35
PTK2 Q05397 1/20 0.35
AURKB Q96GD4 1/20 0.35

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
SCHEMBL1617479 0.81 PSEN1 (0.53)
SCHEMBL3664695 0.80 PLK1 (0.39) PLK1TNK2KDRINSRPTK2
SCHEMBL3661445 0.80 LRRK2 (0.40) KDRPDGFRB
SCHEMBL3662116 0.79 PDGFRB (0.39) PLK1TNK2KDRPDGFRB
SCHEMBL3657821 0.77 PLK1 (0.39) PLK1KDRPDGFRBINSRPTK2
SCHEMBL3665907 0.76 PLK1 (0.39) PLK1KDRPTK2
SCHEMBL3661174 0.74 PLK1 (0.37) PLK1KDRPDGFRBPTK2
SCHEMBL3661161 0.74 PLK1 (0.38) PLK1KDR
SCHEMBL3408826 0.74 CYP17A1 (0.42) PLK1KDRINSRPTK2AURKB
SCHEMBL3662766 0.74 PKMYT1 (0.39) PLK1TNK2KDR

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-2231629-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-09-29 EP disclosed
WO-2009087127-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 WO disclosed