SCHEMBL7944986

SCHEMBL7944986

CCC#CCOc1cnc(C(=O)Nc2ccnc(CNc3cccnc3N)c2)cn1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.68
BACE2 Q9Y5Z0 2/20 0.41
PRKCI P41743 1/20 0.41
APP P05067 1/20 0.39
CTSD P07339 1/20 0.37

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
SCHEMBL12445909 0.93 BACE1 (0.68) BACE1BACE2PRKCIAPP
SCHEMBL12445765 0.92 BACE1 (0.79) BACE1BACE2APPCTSD
SCHEMBL7946763 0.92 BACE1 (0.66) BACE1BACE2PRKCIAPPCTSD
SCHEMBL12445787 0.92 BACE1 (0.66) BACE1BACE2PRKCIAPPCTSD
SCHEMBL12445978 0.92 BACE1 (0.65) BACE1BACE2APPCTSD
SCHEMBL7940563 0.91 BACE1 (0.65) BACE1BACE2PRKCIAPPCTSD
SCHEMBL7942788 0.90 BACE1 (0.65) BACE1BACE2PRKCI
SCHEMBL7945386 0.89 BACE1 (0.78) BACE1BACE2CTSD
SCHEMBL7934110 0.88 BACE1 (0.86) BACE1BACE2
SCHEMBL7945144 0.88 BACE1 (0.67) BACE1BACE2PRKCI

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-2010047372-A1 2-AMINOPYRIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVE BOTH HAVING BACE1-INHIBITING ACTIVITY 塩野義製薬株式会社 (JP) 2010-04-29 WO disclosed