SCHEMBL21033469

SCHEMBL21033469

CCOC(O)c1cn2cc(C3=CCOCC3)ccc2n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.39
SUV39H2 Q9H5I1 2/20 0.37
HTR1D P28221 1/20 0.36
PIK3CD O00329 2/20 0.34
PIK3CA P42336 2/20 0.34
AAK1 Q2M2I8 1/20 0.33
DYRK1A Q13627 1/20 0.33
MAPK14 Q16539 3/20 0.32
TTK P33981 2/20 0.31
BRD4 O60885 2/20 0.31
MCHR1 Q99705 1/20 0.31
SYK P43405 1/20 0.31
PRMT5 O14744 1/20 0.30

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
SCHEMBL21014272 0.77 KDM4E (0.50) PIK3CDPIK3CA
SCHEMBL21033458 0.76 ALDH1A3 (0.50) MCHR1
SCHEMBL21033467 0.72 ALDH1A3 (0.49)
SCHEMBL24460225 0.71 PIK3CG (0.44) DYRK1A
SCHEMBL23950397 0.71 SCN10A (0.34) PIK3CAMCHR1
SCHEMBL21033161 0.71 PTGS1 (0.43) ENPP2SUV39H2PIK3CDPIK3CADYRK1A
SCHEMBL19736985 0.71 SUV39H2 (0.36) ENPP2SUV39H2HTR1DPIK3CDPIK3CA
SCHEMBL24066056 0.69 MCHR1 (0.33) MCHR1
SCHEMBL22515692 0.68 KLKB1 (0.34) PIK3CA
SCHEMBL14183094 0.62 MAPK14 (0.48) HTR1DPIK3CDPIK3CAAAK1MAPK14

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-2019102494-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2019-05-31 WO disclosed