SCHEMBL23192253

SCHEMBL23192253

CNc1nc(Nc2cnc(-n3cnc(C)c3)c(C)c2)nc2c1C(C)(C)CN2c1ccc(F)c(F)c1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 12/20 0.78
PSEN2 P49810 12/20 0.78
APH1B Q8WW43 12/20 0.78
NCSTN Q92542 12/20 0.78
APH1A Q96BI3 12/20 0.78
PSENEN Q9NZ42 12/20 0.78
APP P05067 8/20 0.51

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
SCHEMBL21273715 0.91 PSEN1 (0.74) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21273698 0.88 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21273697 0.83 PSEN1 (0.82) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21273722 0.82 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21273714 0.82 PSEN1 (0.83) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21273706 0.81 PSEN1 (0.80) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21273683 0.81 PSEN1 (0.78) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21273704 0.81 PSEN1 (0.81) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21273692 0.80 PSEN1 (0.85) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23192256 0.80 PSEN1 (0.69) 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-3481829-B1 FUSED PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-04-07 EP disclosed