SCHEMBL3411030

SCHEMBL3411030

COc1cc(Nc2nc(C)cc(Oc3cccc(C(F)(F)F)c3)n2)ccc1-c1nc(C)c[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 1/20 0.41
APP P05067 2/20 0.41
ABCG2 Q9UNQ0 1/20 0.40
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 2/20 0.38
IDH2 P48735 2/20 0.38
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
PTK2 Q05397 1/20 0.37
GAK O14976 1/20 0.37
PDGFRB P09619 1/20 0.37
KIT P10721 1/20 0.37
PDGFRA P16234 1/20 0.37
CDK11B P21127 1/20 0.37
FLT3 P36888 1/20 0.37
CDKL2 Q92772 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
SCHEMBL3413260 0.90 GAK (0.39) MAPTMAPK1LMNAAPPABCG2
SCHEMBL3413137 0.85 CHRNA7 (0.40) L3MBTL1RAB9AKCNH2NPC1
SCHEMBL3412265 0.85 ABCB1 (0.39) LMNAABCG2RAB9AKCNH2CDK1
SCHEMBL3413250 0.84 SLC2A1 (0.42) LMNAABCG2RAB9AJAK2JAK3
SCHEMBL3410450 0.84 NPC1 (0.38) MAPTRAB9APTK2KCNH2NPC1
SCHEMBL3412873 0.84 KCNH2 (0.45) MAPTMAPK1LMNAAPPTDP1
SCHEMBL3406468 0.84 KCNH2 (0.42) MAPTRAB9AKCNH2CDK1PSEN1
SCHEMBL3406068 0.82 NPC1 (0.46) MAPTLMNAABCG2RAB9AKCNH2
SCHEMBL3410885 0.82 NPC1 (0.44) MAPTMAPK1LMNAAPPGAA
SCHEMBL3410260 0.80 NPC1 (0.53) MAPTMAPK1ABCG2GAATDP1

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