SCHEMBL19734867

SCHEMBL19734867

COc1nc(O)c(C#N)c(C2CC2)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.38
SQOR Q9Y6N5 8/20 0.35
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
GALR3 O60755 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PKM P14618 1/20 0.33
IKBKB O14920 3/20 0.31

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
SCHEMBL19734865 0.82 MEN1 (0.40) ALDH1A1KDM4EMEN1GALR3CYP1A2
Ammonia Solution, Strong SCHEMBL19717539 0.81 MEN1 (0.39) ALDH1A1KDM4EMEN1GALR3CYP1A2
Hydrochloric Acid SCHEMBL7021906 0.71 IKBKB (0.40) ALDH1A1KDM4EMEN1GALR3CYP1A2
SCHEMBL7022233 0.69 SQOR (0.57) SQORALDH1A1KDM4EMEN1MAPT
SCHEMBL19734514 0.67 KDM4E (0.44) ALDH1A1KDM4EMEN1GALR3CYP1A2
SCHEMBL4709710 0.66 ALDH1A1 (0.36) RECQLALDH1A1
SCHEMBL7017342 0.65 ALDH1A1 (0.52) SQORALDH1A1HSD17B10ADORA2AADORA1
SCHEMBL15174110 0.65 RECQL (0.53) RECQLSQORMAPK8MAPK9ALDH1A1
SCHEMBL4068894 0.64 RECQL (0.55) RECQLSQORMAPK8MAPK9ALDH1A1
SCHEMBL14251855 0.62 ALDH1A1 (0.41) RECQLALDH1A1KDM4EMEN1CYP1A2

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