SCHEMBL29878281

SCHEMBL29878281

COc1cc(Nc2nc3n(n2)CCCN3c2ccc(F)c(F)c2)ccc1-n1cnc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 20/20 0.55
PSEN2 P49810 20/20 0.55
APH1B Q8WW43 20/20 0.55
NCSTN Q92542 20/20 0.55
APH1A Q96BI3 20/20 0.55
PSENEN Q9NZ42 20/20 0.55

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
SCHEMBL20047773 1.00 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2253395 0.93 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20047804 0.92 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29877497 0.92 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29877500 0.91 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20048081 0.91 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20048091 0.90 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20047802 0.89 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20047850 0.87 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29877147 0.87 PSEN1 (0.51) 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
CN-109476670-B Bicyclic heteroaryl derivatives 豪夫迈·罗氏有限公司 2022-06-28 CN claimed
CN-109476670-B Bicyclic heteroaryl derivatives 豪夫迈·罗氏有限公司 2022-06-28 CN disclosed