SCHEMBL15062311

SCHEMBL15062311

COc1cc(Nc2nc3n(n2)CCCCC3c2ccc(N)cc2)ccc1-c1cnn(C)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 16/20 0.60
▸ PSEN2 P49810 16/20 0.60
▸ APH1B Q8WW43 16/20 0.60
▸ NCSTN Q92542 16/20 0.60
▸ APH1A Q96BI3 16/20 0.60
▸ PSENEN Q9NZ42 16/20 0.60
▸ AAK1 Q2M2I8 1/20 0.41
▸ AXL P30530 1/20 0.37
▸ TYRO3 Q06418 1/20 0.37
▸ USP30 Q70CQ3 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ TTK P33981 1/20 0.37
▸ APP P05067 4/20 0.36

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
SCHEMBL12918267 0.92 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
Trifluoroacetic Acid SCHEMBL964389 0.85 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL963472 0.78 PSEN1 (0.95) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL136503 0.74 PSEN1 (0.76) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL964276 0.74 PSEN1 (0.95) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2227350 0.74 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20047768 0.72 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29877618 0.72 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12918272 0.72 PSEN1 (0.69) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2227351 0.72 PSEN1 (0.67) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379553-B1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2013-06-26 — — EP disclosed
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