SCHEMBL954254

SCHEMBL954254

COc1cc(-c2nc(C(C)C)n(-c3cccc(C(F)(F)F)c3)n2)ccc1-n1cnc(C)c1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 20/20 0.76
PSEN2 P49810 20/20 0.76
APH1B Q8WW43 20/20 0.76
NCSTN Q92542 20/20 0.76
APH1A Q96BI3 20/20 0.76
PSENEN Q9NZ42 20/20 0.76
KCNH2 Q12809 1/20 0.53

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
Hydrochloric Acid SCHEMBL8514945 0.99 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL8510316 0.89 PSEN1 (0.80) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12945122 0.86 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL8512266 0.86 PSEN1 (0.98) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15936173 0.84 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL8510352 0.83 PSEN1 (0.78) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL955210 0.82 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8514552 0.81 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8510329 0.80 PSEN1 (0.76) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8512293 0.80 PSEN1 (0.76) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454239-B1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2014-08-13 EP disclosed
EP-2454239-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS Janssen Pharmaceuticals Inc. (US) 2012-05-23 EP disclosed
WO-2011006903-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2011-01-20 WO disclosed
US-7462624-B2 Purinone derivatives as HM74a agonists INCYTE CORPORATION (US) 2008-12-09 US disclosed