SCHEMBL5380257

SCHEMBL5380257

O=c1cc(-c2ccncc2)[nH]c(Cc2ccccc2Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
GSK3B P49841 2/20 0.45
CDC7 O00311 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
DAO P14920 1/20 0.38
P2RX7 Q99572 1/20 0.38
PDE10A Q9Y233 1/20 0.38
GPR84 Q9NQS5 1/20 0.38

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
SCHEMBL5382412 0.86 CYP3A4 (0.41) LMNAGSK3BKMT2AL3MBTL1SMN1; SMN2
SCHEMBL5380263 0.85 GSK3B (0.48) GSK3BCDC7KMT2APDE10A
SCHEMBL5376093 0.81 GSK3B (0.63) GSK3BCDC7KMT2ADAOPDE10A
SCHEMBL5380262 0.81 GSK3B (0.70) MAPTKDM4ELMNAGSK3BCDC7
SCHEMBL5375203 0.79 GSK3B (0.47) GSK3BCDC7
SCHEMBL5383560 0.78 KDM4E (0.44) MAPTKDM4ELMNAGSK3BCDC7
SCHEMBL5386907 0.77 GSK3B (0.48) MAPTLMNAGSK3BCDC7SMN1; SMN2
SCHEMBL7992854 0.76 GPR84 (0.41) MAPTCDC7MEN1KMT2AL3MBTL1
SCHEMBL5386527 0.76 GSK3B (0.53) GSK3BCDC7PDE10A
SCHEMBL5391617 0.75 KDM4E (0.49) MAPTKDM4ELMNAGSK3BCDC7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7256199-B1 Pyrimidone derivatives MITSUBISHI CHEMICAL CORPORATION (JP) 2007-08-14 US disclosed
EP-1115721-B1 PYRIMIDONE DERIVATIVES MITSUBISHI CHEM CORP (JP) 2003-12-10 EP disclosed
EP-1115721-A1 PYRIMIDONE DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 2001-07-18 EP disclosed
WO-2000018758-A1 PYRIMIDONE DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 2000-04-06 WO disclosed