SCHEMBL2500506

SCHEMBL2500506

NC1=NC(c2ccncc2)(c2ccc(F)cc2)c2cccc(F)c21

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.66
KCNH2 Q12809 18/20 0.66
BACE2 Q9Y5Z0 4/20 0.65

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
SCHEMBL2463558 0.85 BACE1 (0.64) BACE1KCNH2BACE2
SCHEMBL2463250 0.83 BACE1 (0.69) BACE1KCNH2BACE2
SCHEMBL2462889 0.80 BACE1 (1.00) BACE1KCNH2BACE2
SCHEMBL2464176 0.80 BACE1 (0.77) BACE1KCNH2BACE2
SCHEMBL2465648 0.80 BACE1 (0.77) BACE1KCNH2BACE2
SCHEMBL2463319 0.80 BACE1 (1.00) BACE1KCNH2BACE2
SCHEMBL2499171 0.80 BACE1 (1.00) BACE1KCNH2BACE2
SCHEMBL2469832 0.80 BACE1 (1.00) BACE1KCNH2BACE2
SCHEMBL2463723 0.76 BACE1 (0.64) BACE1KCNH2BACE2
SCHEMBL2466670 0.75 BACE1 (0.64) BACE1KCNH2BACE2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030500-B2 Substituted isoindoles for the treatment and/or prevention of Aβ- related pathologies ASTRAZENECA AB (SE) 2011-10-04 US disclosed