SCHEMBL3717580

SCHEMBL3717580

COc1nc(/C=C/C(=O)NNC(=O)OC(C)(C)C)cnc1-n1cnc(C)c1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 2/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL3717582 1.00 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7919252 0.86 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7909382 0.85 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7919258 0.83 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL3790833 0.82 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL3790837 0.82 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12395005 0.78 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL908699 0.74 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL908696 0.74 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8032501 0.73 PSEN1 (0.38) 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
WO-2010098495-A1 IMIDAZOLYLPYRAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 WO disclosed
WO-2010098495-A1 IMIDAZOLYLPYRAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 WO disclosed