SCHEMBL24200731

SCHEMBL24200731

Nc1nc2n(n1)CCCC[C@H]2c1cc(F)cc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APP P05067 14/20 0.52
PSEN1 P49768 14/20 0.52
PSEN2 P49810 14/20 0.52
APH1B Q8WW43 14/20 0.52
NCSTN Q92542 14/20 0.52
APH1A Q96BI3 14/20 0.52
PSENEN Q9NZ42 14/20 0.52
RIPK1 Q13546 4/20 0.36

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
SCHEMBL21179475 1.00 APP (0.52) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21179376 0.85 PSEN1 (0.52) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL24200607 0.82 PSEN1 (0.61) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL2271918 0.76 PSEN1 (0.47) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL23443614 0.72 APP (0.51) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL23442943 0.72 APP (0.51) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21886900 0.71 RIPK1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22494488 0.70 APP (1.00) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL22494460 0.70 APP (1.00) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL22494485 0.69 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-3743428-B1 TRIAZOLO-AZEPINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2022-01-19 EP disclosed