SCHEMBL3407100

SCHEMBL3407100

COc1cc(Nc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)ccc1-c1nc(C)c[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 5/20 0.47
HTT P42858 2/20 0.47
PTGS2 P35354 3/20 0.45
TP53 P04637 4/20 0.42
ADORA2A P29274 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
JAK2 O60674 1/20 0.42
EGFR P00533 1/20 0.42
CDK2 P24941 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
PTK2B Q14289 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALOX5 P09917 1/20 0.40
AGPAT2 O15120 1/20 0.40

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
SCHEMBL3409722 0.90 PIK3CA (0.41) MAPTSMN1; SMN2LMNAHTTPTGS2
SCHEMBL3406378 0.88 PTGS2 (0.42) MAPTSMN1; SMN2LMNAPTGS2TP53
SCHEMBL3409749 0.87 IMPDH2 (0.42) MAPTLMNAPTGS2MAPK1
SCHEMBL3412354 0.85 PTGS2 (0.39) MAPTSMN1; SMN2LMNAPTGS2TP53
SCHEMBL3412057 0.84 MAPT (0.42) MAPTSMN1; SMN2LMNAPTGS2TP53
SCHEMBL3407305 0.84 PIK3CA (0.61) JAK2EGFRCDK2PIK3CAPIK3CB
SCHEMBL3405216 0.84 IMPDH2 (0.39) MAPTLMNAPTGS2MAPK1
SCHEMBL3412730 0.83 PIK3CA (0.40) MAPTLMNATP53JAK2EGFR
SCHEMBL3406812 0.83 IMPDH2 (0.39) MAPTLMNAPTGS2KDM4EALDH1A1
SCHEMBL3406884 0.82 TLR8 (0.56) MAPTSMN1; SMN2LMNATP53KDM4E

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-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