SCHEMBL2329340

SCHEMBL2329340

COc1cc(Nc2ncc(Cc3ccccc3)o2)ccc1-c1nc(C)c[nH]1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 17/20 0.44
FLT1 P17948 2/20 0.43
FLT4 P35916 2/20 0.43
KDR P35968 2/20 0.43
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
IMPDH1 P20839 1/20 0.39

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
SCHEMBL3634899 0.81 LMNA (0.44) IMPDH2PSEN1PSEN2APH1BNCSTN
SCHEMBL3411154 0.79 PSEN1 (0.43) IMPDH2PSEN1PSEN2APH1BNCSTN
SCHEMBL3408093 0.78 PSEN1 (0.44) IMPDH2PSEN1PSEN2APH1BNCSTN
SCHEMBL2365517 0.77 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3411256 0.77 ABCB1 (0.40) IMPDH2PSEN1PSEN2APH1BNCSTN
SCHEMBL3407207 0.76 PSEN1 (0.43) IMPDH2PSEN1PSEN2APH1BNCSTN
SCHEMBL3410539 0.75 MAPT (0.43) IMPDH2IMPDH1
SCHEMBL3410455 0.75 MEN1 (0.42) IMPDH2FLT4KDRPSEN1PSEN2
SCHEMBL3410452 0.74 BRAF (0.44) IMPDH2
SCHEMBL3406191 0.73 IMPDH2 (0.45) IMPDH2KDR

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-2355817-A1 HETEROCYCLIC GAMMA SECRETASE MODULATORS F. Hoffmann-La Roche AG (CH) 2011-08-17 EP disclosed
WO-2010052199-A1 HETEROCYCLIC GAMMA SECRETASE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-14 WO disclosed