SCHEMBL3407207

SCHEMBL3407207

COc1cc(Nc2cc(Cl)nc(Cc3ccccc3)n2)ccc1-c1nc(C)c[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43
MAPT P10636 5/20 0.41
ABCB1 P08183 3/20 0.40
ABCC1 P33527 3/20 0.40
ABCG2 Q9UNQ0 3/20 0.40
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
DHPS P49366 1/20 0.37
SLC2A1 P11166 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
METAP2 P50579 1/20 0.36
POLB P06746 2/20 0.36
PDE2A O00408 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL3411256 0.86 ABCB1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3412879 0.82 MAPT (0.42) MAPTABCB1ABCC1ABCG2POLB
SCHEMBL3408093 0.80 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3412595 0.80 MAPT (0.41) MAPTABCB1ABCC1ABCG2AURKA
SCHEMBL3410452 0.78 BRAF (0.44) MAPTABCB1ABCC1ABCG2AURKA
SCHEMBL3412202 0.78 MAPT (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4101711 0.77 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3412641 0.77 MAPT (0.42) MAPTABCB1ABCC1ABCG2NPSR1
SCHEMBL3411154 0.77 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3634899 0.76 LMNA (0.44) PSEN1PSEN2APH1BNCSTNAPH1A

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 4 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 claimed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO claimed
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