SCHEMBL3411892

SCHEMBL3411892

COc1cc(Nc2nc(C)cc(N3CCC(O)CC3)n2)ccc1-c1nc(C)c[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.43
AURKA O14965 2/20 0.41
AURKB Q96GD4 2/20 0.41
GALR1 P47211 3/20 0.40
EHMT2 Q96KQ7 3/20 0.40
GALR2 O43603 3/20 0.39
PDE7A Q13946 3/20 0.39
BRD4 O60885 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
EHMT1 Q9H9B1 2/20 0.37
PDE5A O76074 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
NR4A1 P22736 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL3411061 0.91 SLC2A1 (0.48) SLC2A1AURKAAURKBGALR1EHMT2
SCHEMBL3406844 0.91 GALR2 (0.48) SLC2A1AURKAAURKBGALR1EHMT2
SCHEMBL3410060 0.89 ALK (0.46)
SCHEMBL3413403 0.88 IMPDH2 (0.49) SLC2A1AURKAAURKBBRD4KDM4E
SCHEMBL3409900 0.85 AURKA (0.47) SLC2A1AURKAAURKBGALR1GALR2
SCHEMBL3410260 0.83 NPC1 (0.53) EHMT2BRD4NPC1RAB9AEHMT1
SCHEMBL3410528 0.83 GALR2 (0.42) SLC2A1AURKAAURKBGALR1GALR2
SCHEMBL3412580 0.82 GALR2 (0.44) SLC2A1AURKAAURKBGALR1GALR2
SCHEMBL3406164 0.80 IMPDH2 (0.45) AURKAAURKBMEN1MAPTMAPK1
SCHEMBL3408614 0.79 PSEN1 (0.55)

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-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 EP disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO disclosed