SCHEMBL3781745

SCHEMBL3781745

C=CCNC1CCN(c2nc(NCc3ccccc3)nc3nnc(-c4ccc(F)cc4)nc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.38
BACE1 P56817 3/20 0.38
BCHE P06276 2/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
EHMT2 Q96KQ7 1/20 0.36
DNMT3A Q9Y6K1 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
CCR3 P51677 1/20 0.35
HRH4 Q9H3N8 2/20 0.35
HRH1 P35367 1/20 0.35
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR7 Q9NYK1 1/20 0.34

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
SCHEMBL3783454 0.91 ACHE (0.47) ACHEBACE1BCHEPDE4APDE4B
SCHEMBL3711457 0.87 EHMT2 (0.41) EHMT2DNMT3ATP53SMN1; SMN2TLR9
SCHEMBL3704323 0.86 CCNE2 (0.40) ACHEBACE1BCHEPDE4APDE4B
SCHEMBL3781421 0.85 PDE4A (0.41) ACHEBACE1PDE4APDE4BPDE4C
SCHEMBL3786948 0.85 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DHTR2A
SCHEMBL3701586 0.81 TLR9 (0.39) PDE4APDE4BPDE4CPDE4DHRH4
SCHEMBL3779641 0.81 HTT (0.50) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL3704626 0.81 HRH4 (0.52) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL3785003 0.81 PDE4A (0.47) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL3784136 0.81 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DHTR2A

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-2010083645-A1 PYRIMIDO[5,4-e][1,2,4]TRIAZINES AND USES THEREOF SHANGHAI TARGETDRUG CO., LTD (CN) 2010-07-29 WO disclosed
WO-2010083645-A1 PYRIMIDO[5,4-e][1,2,4]TRIAZINES AND USES THEREOF SHANGHAI TARGETDRUG CO., LTD (CN) 2010-07-29 WO disclosed