SCHEMBL3406978

SCHEMBL3406978

COc1ncc(-n2cccn2)c(-c2cncnc2)c1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 1/20 0.33
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
MKNK1 Q9BUB5 2/20 0.33
MKNK2 Q9HBH9 2/20 0.33
CYP46A1 Q9Y6A2 1/20 0.33
KDM4E B2RXH2 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
ATR Q13535 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
SYK P43405 1/20 0.32
HPGD P15428 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
G6PD P11413 1/20 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
SCHEMBL3407758 0.90 LMNA (0.36) KMT2AMEN1CYP46A1KDM4ECYP1A2
SCHEMBL3410082 0.88 MEN1 (0.35) KMT2AMEN1CYP46A1KDM4ECYP1A2
SCHEMBL3408377 0.82 SCN9A (0.34) KMT2AMEN1KDM4ECYP1A2CYP2D6
SCHEMBL3410075 0.70 KMT2A (0.37) KMT2AMEN1CYP46A1KDM4ECYP1A2
SCHEMBL3406972 0.68 ATR (0.37) KMT2AMEN1CYP46A1KDM4ECYP1A2
SCHEMBL3408373 0.66 HCRTR1 (0.34) KMT2AMEN1CYP46A1KDM4ECYP1A2
SCHEMBL3406962 0.64 MEN1 (0.39) KMT2AMEN1KDM4ECYP1A2CYP2D6
SCHEMBL8174331 0.63 SIRT3 (0.47) KMT2AMEN1MKNK1CYP46A1KDM4E
SCHEMBL30298688 0.63 CYP46A1 (0.46) KMT2AMEN1MKNK1MKNK2CYP46A1
SCHEMBL21465577 0.63 HCRTR1 (0.37) KMT2AMEN1KDM4EALDH1A1MAPT

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
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO disclosed