SCHEMBL19787531

SCHEMBL19787531

CNc1nc(N)nc2c1C(C)(C)CN2c1ccc(F)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
APP P05067 12/20 0.53
PSEN1 P49768 8/20 0.46
PSEN2 P49810 8/20 0.46
APH1B Q8WW43 8/20 0.46
NCSTN Q92542 8/20 0.46
APH1A Q96BI3 8/20 0.46
PSENEN Q9NZ42 8/20 0.46

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
SCHEMBL19787665 0.88 APP (0.60) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL19787528 0.87 APP (0.52) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL23192352 0.75 PSEN1 (0.66) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL22915357 0.74 PSEN1 (0.60) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL19787521 0.73 APP (0.54) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL29801652 0.73 APP (0.54) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21273725 0.72 PSEN1 (0.74) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL23192253 0.72 PSEN1 (0.78) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21050415 0.71 APP (1.00) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21050403 0.71 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
WO-2018011164-A1 FUSED PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2018-01-18 WO disclosed