SCHEMBL20797652

SCHEMBL20797652

CC(C)(C)OCCNc1ccccc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.39
MAPT P10636 5/20 0.37
HTT P42858 2/20 0.37
PTGER4 P35408 2/20 0.37
GAA P10253 3/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
LMNA P02545 1/20 0.36
CYP2D6 P10635 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
THRB P10828 1/20 0.36
RECQL P46063 1/20 0.36
MMP14 P50281 1/20 0.36
RAB9A P51151 1/20 0.36
HDAC6 Q9UBN7 3/20 0.35

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
SCHEMBL7736374 0.87 MAPT (0.43) NCF1MAPTHTTKDM4EALDH1A1
SCHEMBL742957 0.80 PTGER4 (0.54) NCF1MAPTHTTPTGER4GAA
Hydrochloric Acid SCHEMBL11314258 0.79 PTGER4 (0.53) NCF1MAPTHTTPTGER4GAA
SCHEMBL8720377 0.78 HDAC3 (0.41) NCF1MAPTHTTPTGER4GAA
SCHEMBL20811032 0.78 HDAC1 (0.35) NCF1MAPTHTTALDH1A1RECQL
SCHEMBL20797540 0.78 PTGER4 (0.43) PTGER4HDAC6
SCHEMBL30502135 0.78 NCF1 (0.36) NCF1MAPTHTTPTGER4GAA
SCHEMBL5545762 0.78 NCF1 (0.36) NCF1MAPTHTTPTGER4GAA
SCHEMBL10498572 0.77 PTGER4 (0.40) NCF1MAPTHTTPTGER4GAA
SCHEMBL18413588 0.77 MAPT (0.34) MAPTHTTGAAKDM4EMEN1

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