SCHEMBL19734514

SCHEMBL19734514

Cc1nc(C)c(C#N)c(C2CC2)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
PKM P14618 1/20 0.43
ALDH1A1 P00352 7/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
GALR3 O60755 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 3/20 0.35
TSHR P16473 3/20 0.35
HSD17B10 Q99714 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 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
SCHEMBL19735065 0.79 CHRM3 (0.43) KDM4EPKMALDH1A1MEN1KMT2A
SCHEMBL19734865 0.74 MEN1 (0.40) KDM4EPKMALDH1A1MEN1KMT2A
SCHEMBL19716496 0.74 NSD2 (0.44) KDM4EPKMALDH1A1MEN1KMT2A
Ammonia Solution, Strong SCHEMBL19717539 0.72 MEN1 (0.39) KDM4EPKMALDH1A1MEN1KMT2A
SCHEMBL25394224 0.71 PDE10A (0.55) KDM4EPKMALDH1A1MEN1KMT2A
SCHEMBL21048241 0.71 PKM (0.38) KDM4EPKMALDH1A1MEN1KMT2A
SCHEMBL9909077 0.71 ALDH1A1 (0.46) KDM4EPKMALDH1A1MEN1KMT2A
SCHEMBL19717322 0.69 MAPK1 (0.37) KDM4EPKMALDH1A1MEN1KMT2A
SCHEMBL17225065 0.69 KDM4E (0.37) KDM4EPKMALDH1A1MEN1KMT2A
SCHEMBL17236143 0.69 KDM4E (0.41) KDM4EPKMALDH1A1MEN1KMT2A

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-2017216726-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-12-21 WO disclosed
WO-2017216727-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-12-21 WO disclosed