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SCHEMBL7942895

SCHEMBL7942895

CC#CCOc1ccc(C(=O)Nc2ccnc(CNc3cccnc3N)c2)nc1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 18/20 0.62
▸ APP P05067 1/20 0.46
▸ BACE2 Q9Y5Z0 4/20 0.43
▸ PRKCI P41743 1/20 0.42
▸ GRM4 Q14833 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
SCHEMBL12445765 0.89 BACE1 (0.79) BACE1APPBACE2
SCHEMBL12301464 0.88 BACE1 (0.54) BACE1BACE2PRKCI
SCHEMBL7940351 0.88 BACE1 (0.80) BACE1APPBACE2
SCHEMBL7941890 0.87 BACE1 (0.59) BACE1BACE2PRKCIGRM4
SCHEMBL7943419 0.87 BACE1 (0.61) BACE1PRKCIGRM4
SCHEMBL7935750 0.86 BACE1 (0.56) BACE1PRKCIGRM4
SCHEMBL7941874 0.86 BACE1 (0.60) BACE1APPBACE2
SCHEMBL7941941 0.85 BACE1 (0.50) BACE1BACE2PRKCIGRM4
SCHEMBL7935754 0.84 BACE1 (0.50) BACE1BACE2PRKCIGRM4
SCHEMBL7940775 0.83 BACE1 (0.59) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2360155-A1 2-AMINOPYRIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVE BOTH HAVING BACE1-INHIBITING ACTIVITY Shionogi & Co., Ltd. (JP) 2011-08-24 — — EP disclosed
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