SCHEMBL3406069

SCHEMBL3406069

Cc1c[nH]c(-c2ccc(Nc3nc(-c4ccc(C(F)(F)F)cc4)cc(C(C)(C)O)n3)cc2F)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.40
SYK P43405 2/20 0.37
KIF11 P52732 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
MCHR1 Q99705 1/20 0.33
CDK2 P24941 1/20 0.33
APP P05067 1/20 0.33
IDH2 P48735 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32

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
SCHEMBL3408739 0.92 PTGS2 (0.41) PTGS2SYKTP53MAPTMCHR1
SCHEMBL3412354 0.90 PTGS2 (0.39) PTGS2SYKTP53MAPTPSEN1
SCHEMBL3409955 0.83 CDK2 (0.48) SYKCDK2
SCHEMBL3406820 0.81 L3MBTL1 (0.39) SYKTP53MAPT
SCHEMBL3413190 0.81 CYP3A4 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3405215 0.80 KCNH2 (0.37) PTGS2CDK2
SCHEMBL3409722 0.79 PIK3CA (0.41) PTGS2TP53MAPTCDK2PSEN1
SCHEMBL4092365 0.78 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3407100 0.74 MAPT (0.48) PTGS2TP53MAPTCDK2
SCHEMBL3413279 0.74 CDK2 (0.46) CDK2

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