SCHEMBL19787595

SCHEMBL19787595

CNc1nc(NC2C3CC2CN(c2nnc(C)o2)C3)nc2c1C(C)(C)CN2c1ccc(F)cc1

nearest known ligand 0.91

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
APP P05067 16/20 0.91
PSEN1 P49768 4/20 0.91
PSEN2 P49810 4/20 0.91
APH1B Q8WW43 4/20 0.91
NCSTN Q92542 4/20 0.91
APH1A Q96BI3 4/20 0.91
PSENEN Q9NZ42 4/20 0.91

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
SCHEMBL21094357 0.95 APP (1.00) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21050428 0.95 APP (1.00) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21050437 0.95 APP (1.00) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21050440 0.95 APP (1.00) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL22915407 0.91 APP (0.91) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21050405 0.87 APP (1.00) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21050402 0.87 APP (1.00) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21094062 0.87 APP (1.00) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21050403 0.87 APP (1.00) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21050457 0.85 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