SCHEMBL19787661

SCHEMBL19787661

CNc1nc(NC2C3CC2CN(c2cnnc(Cl)c2)C3)nc2c1C(C)(C)CN2c1ccc(F)cc1

nearest known ligand 0.91

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
APP P05067 17/20 0.91
PSEN1 P49768 3/20 0.71
PSEN2 P49810 3/20 0.71
APH1B Q8WW43 3/20 0.71
NCSTN Q92542 3/20 0.71
APH1A Q96BI3 3/20 0.71
PSENEN Q9NZ42 3/20 0.71

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
SCHEMBL21093745 0.95 APP (1.00) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21050442 0.95 APP (1.00) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21050427 0.95 APP (1.00) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21050438 0.95 APP (1.00) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21050450 0.86 APP (1.00) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21094057 0.86 APP (1.00) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21050452 0.86 APP (1.00) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21050451 0.86 APP (1.00) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL19787609 0.85 APP (0.91) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21094058 0.83 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