SCHEMBL3636592

SCHEMBL3636592

COc1cc(Nc2nc3c(s2)CN(C(C=O)c2ccc(F)cc2)CC3)ccc1-c1nc(C)c[nH]1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.34
GRM1 Q13255 1/20 0.34
PSEN1 P49768 6/20 0.33
PSEN2 P49810 6/20 0.33
APH1B Q8WW43 6/20 0.33
NCSTN Q92542 6/20 0.33
APH1A Q96BI3 6/20 0.33
PSENEN Q9NZ42 6/20 0.33
ROCK2 O75116 6/20 0.33
OGA O60502 2/20 0.33
ALOX15 P16050 1/20 0.32
PLK1 P53350 1/20 0.32
ROCK1 Q13464 1/20 0.32
PIK3CG P48736 1/20 0.32
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3638175 0.87 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3636389 0.82 GRM5 (0.39) GRM5ROCK2ROCK1
SCHEMBL3642038 0.82 MKNK1 (0.41) GRM5GRM1PSEN1PSEN2APH1B
SCHEMBL3634100 0.81 KMT2A (0.40) GRM5GRM1ALOX15KDM4EKMT2A
SCHEMBL3638385 0.79 NPC1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3639468 0.76 RAB9A (0.51) GRM5GRM1PSEN1PSEN2APH1B
SCHEMBL3636154 0.76 GRAMD1A (0.50)
SCHEMBL3636972 0.74 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3633453 0.74 NPC1 (0.41) GRM5PSEN1PSEN2APH1BNCSTN
SCHEMBL3634269 0.74 PSEN1 (0.42) 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 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