SCHEMBL3413403

SCHEMBL3413403

COc1cc(Nc2nc(C)cc(N3CCOCC3)n2)ccc1-c1nc(C)c[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.49
MAPT P10636 3/20 0.48
MAPK1 P28482 3/20 0.48
TP53 P04637 1/20 0.48
ZAP70 P43403 2/20 0.47
JAK2 O60674 1/20 0.47
SYK P43405 1/20 0.47
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
CRHBP P24387 1/20 0.44
PIK3CB P42338 1/20 0.44
HTT P42858 1/20 0.44
CRHR2 Q13324 1/20 0.44
IGF1R P08069 1/20 0.42
AURKA O14965 4/20 0.42
AURKB Q96GD4 2/20 0.42
PKMYT1 Q99640 1/20 0.42
SLC2A1 P11166 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41

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 0.92 SLC2A1 (0.48) MAPTMAPK1HTTAURKAAURKB
SCHEMBL3406844 0.91 GALR2 (0.48) MAPTMAPK1HTTAURKAAURKB
SCHEMBL3406164 0.89 IMPDH2 (0.45) IMPDH2MAPTMAPK1TP53ZAP70
SCHEMBL3411892 0.88 SLC2A1 (0.43) MAPTMAPK1AURKAAURKBSLC2A1
SCHEMBL3409900 0.85 AURKA (0.47) JAK2AURKAAURKBSLC2A1BRD4
SCHEMBL3410260 0.84 NPC1 (0.53) IMPDH2MAPTMAPK1MEN1KMT2A
SCHEMBL3410528 0.81 GALR2 (0.42) MAPTMAPK1ZAP70AURKAAURKB
SCHEMBL3412580 0.81 GALR2 (0.44) MAPTZAP70AURKAAURKBSLC2A1
SCHEMBL3406068 0.80 NPC1 (0.46) IMPDH2MAPTTSHRHTTMEN1
SCHEMBL3407955 0.79 NPC1 (0.51) IMPDH2MAPTMEN1KMT2ABRD4

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