SCHEMBL5383560

SCHEMBL5383560

O=c1cc(-c2ccncc2)[nH]c(Cc2ccccn2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CDC7 O00311 2/20 0.44
GSK3B P49841 2/20 0.43
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE10A Q9Y233 3/20 0.41
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
F7 P08709 1/20 0.41
CCNE2 O96020 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39

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
SCHEMBL5376093 0.82 GSK3B (0.63) CDC7GSK3BKMT2APDE10ACDK2
SCHEMBL5383563 0.79 GSK3B (0.70) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL5386907 0.78 GSK3B (0.48) MAPTLMNASMN1; SMN2CDC7GSK3B
SCHEMBL5380263 0.78 GSK3B (0.48) CDC7GSK3BKMT2APDE10APIK3C3
SCHEMBL5380257 0.78 MAPT (0.49) KDM4EMAPTLMNASMN1; SMN2CDC7
SCHEMBL5386527 0.77 GSK3B (0.53) CDC7GSK3BPDE10ACDK2HRH3
SCHEMBL5391617 0.76 KDM4E (0.49) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL5376071 0.76 GSK3B (0.49) CDC7GSK3BPDE10ACCNE2CDK4
SCHEMBL5399975 0.76 CDC7 (0.48) SMN1; SMN2CDC7GSK3BCDK2
SCHEMBL5390682 0.76 GSK3B (0.64) ALDH1A1MAPTSMN1; SMN2CDC7GSK3B

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