SCHEMBL20798385

SCHEMBL20798385

C[C@@H]1COc2cccnc2N1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.39
GSK3B P49841 1/20 0.38
NPC1 O15118 1/20 0.38
LTA4H P09960 4/20 0.36
NISCH Q9Y2I1 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RIPK1 Q13546 3/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
NR3C2 P08235 1/20 0.33

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
SCHEMBL20798386 1.00 PDE10A (0.39) PDE10AGSK3BNPC1LTA4HNISCH
SCHEMBL21187104 0.79 NISCH (0.36) GSK3BNPC1LTA4HNISCHMEN1
SCHEMBL26373004 0.79 LTA4H (0.34) GSK3BNPC1LTA4HNISCHMEN1
SCHEMBL18475831 0.78 LTA4H (0.36) GSK3BNPC1LTA4HNISCHMEN1
SCHEMBL27529870 0.76 RIPK1 (0.35) GSK3BNPC1LTA4HNISCHMEN1
SCHEMBL13757115 0.76 RIPK1 (0.39) PDE10ANPC1LTA4HNISCHMEN1
SCHEMBL29908494 0.74 RIPK1 (0.39) PDE10ANPC1LTA4HNISCHMEN1
SCHEMBL19859198 0.74 RIPK1 (0.41) NPC1LTA4HMEN1KMT2ARIPK1
SCHEMBL19957897 0.73 GSK3B (0.41) GSK3BNPC1LTA4HMEN1KMT2A
SCHEMBL14841239 0.72 RIPK1 (0.35) LTA4HNISCHRIPK1

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
WO-2019049061-A1 5-(1 H-BENZO[D]IMIDAZO-2-YL)-PYRIDIN-2-AMINE AND 5-(3H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-PYRIDIN-2-AMINE DERIVATIVES AS C-MYC AND P300/CBP HISTONE ACETYLTRANSFERASE INHIBITORS FOR TREATING CANCER GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-03-14 WO disclosed
WO-2019049061-A1 5-(1 H-BENZO[D]IMIDAZO-2-YL)-PYRIDIN-2-AMINE AND 5-(3H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-PYRIDIN-2-AMINE DERIVATIVES AS C-MYC AND P300/CBP HISTONE ACETYLTRANSFERASE INHIBITORS FOR TREATING CANCER GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-03-14 WO disclosed