SCHEMBL22915503

SCHEMBL22915503

CNc1nc(NC2C3CC2CN(c2cc(C)ncn2)C3)nc2c1C(C)(C)CN2c1ccc(F)cc1F

nearest known ligand 0.91

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
APP P05067 14/20 0.91
PSEN1 P49768 6/20 0.75
PSEN2 P49810 6/20 0.75
APH1B Q8WW43 6/20 0.75
NCSTN Q92542 6/20 0.75
APH1A Q96BI3 6/20 0.75
PSENEN Q9NZ42 6/20 0.75

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
SCHEMBL21050368 0.95 APP (1.00) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21093918 0.95 APP (1.00) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21050366 0.95 APP (1.00) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21050367 0.95 APP (1.00) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21093920 0.93 APP (0.81) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL22915467 0.88 APP (0.91) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21050352 0.86 APP (1.00) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21050353 0.86 APP (1.00) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21093525 0.86 APP (1.00) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21050354 0.86 APP (1.00) APPPSEN1PSEN2APH1BNCSTN

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-3484884-B1 FUSED PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-01-27 EP disclosed