SCHEMBL3636154

SCHEMBL3636154

COc1cc(Nc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)ccc1-c1nc(C)c[nH]1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRAMD1A Q96CP6 1/20 0.50
GCK P35557 17/20 0.44
MAPT P10636 1/20 0.41
MKNK1 Q9BUB5 1/20 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
SCHEMBL3636389 0.85 GRM5 (0.39) GRAMD1AGCK
SCHEMBL3638385 0.82 NPC1 (0.40)
SCHEMBL1038282 0.81 PSEN1 (0.52) GRAMD1AGCKMAPTMKNK1
SCHEMBL3725834 0.80 GRAMD1A (0.39) GRAMD1AGCKMAPTMKNK1
SCHEMBL3638175 0.80 PSEN1 (0.36) GCK
SCHEMBL3639468 0.79 RAB9A (0.51) MAPT
SCHEMBL3642038 0.77 MKNK1 (0.41) MAPTMKNK1
SCHEMBL3636972 0.77 PSEN1 (0.40) MAPT
SCHEMBL3634100 0.77 KMT2A (0.40) MAPTMKNK1
SCHEMBL3633453 0.77 NPC1 (0.41)

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-2155740-A1 HETARYLANILINES AS MODULATORS FOR AMYLOID BETA F. Hoffmann-Roche AG (CH) 2010-02-24 EP disclosed
WO-2008138753-A1 HETARYLANILINES AS MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2008-11-20 WO disclosed