SCHEMBL29877310

SCHEMBL29877310

N#Cc1cc(Nc2nc3n(n2)CCCN3c2ccc(F)c(F)c2)ccc1-n1cnc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 18/20 0.42
▸ PSEN2 P49810 18/20 0.42
▸ APH1B Q8WW43 18/20 0.42
▸ NCSTN Q92542 18/20 0.42
▸ APH1A Q96BI3 18/20 0.42
▸ PSENEN Q9NZ42 18/20 0.42
▸ TBK1 Q9UHD2 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
SCHEMBL20047771 1.00 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29878012 0.92 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20047772 0.92 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20047816 0.90 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29878285 0.90 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29877320 0.90 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20048108 0.90 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20047847 0.89 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29877632 0.89 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29877873 0.86 PSEN1 (0.47) 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
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