SCHEMBL12445672

SCHEMBL12445672

CSc1ccc(C(=O)Nc2ccnc(C3(C)CC(=O)NC(N)=N3)c2)s1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 11/20 0.49
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
PKM P14618 1/20 0.32
LIG1 P18858 1/20 0.32
APP P05067 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
JAK2 O60674 1/20 0.31
TYK2 P29597 1/20 0.31
POLB P06746 1/20 0.30
TLK2 Q86UE8 1/20 0.30
USP2 O75604 1/20 0.30
BACE2 Q9Y5Z0 1/20 0.30

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
SCHEMBL12445802 0.87 BACE1 (0.47) BACE1KMT2AMEN1MAPTNPC1
SCHEMBL7946593 0.84 BACE1 (0.47) BACE1
SCHEMBL12445678 0.81 BACE1 (0.42) BACE1
SCHEMBL12446250 0.79 BACE1 (0.48) BACE1KMT2AMEN1KDM4EMAPT
SCHEMBL12445785 0.77 BACE1 (0.51) BACE1BACE2
SCHEMBL12445687 0.77 KMT2A (0.46) BACE1KMT2AMEN1MAPTNPC1
SCHEMBL12445801 0.77 NPC1 (0.44) BACE1MAPTNPC1ALDH1A1RAB9A
SCHEMBL12446242 0.75 BACE1 (0.44) BACE1KMT2AMEN1KDM4ERAB9A
SCHEMBL12445808 0.74 NPC1 (0.47) BACE1KDM4ENPC1ALDH1A1RAB9A
SCHEMBL12445643 0.73 BACE1 (0.49) BACE1APPBACE2

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