SCHEMBL8991110

SCHEMBL8991110

CNc1ncnc2c1c(SC(N)=O)cn2Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 2/20 0.39
EGFR P00533 1/20 0.39
SRC P12931 1/20 0.39
NOTUM Q6P988 1/20 0.39
YTHDC1 Q96MU7 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FLT3 P36888 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL8991244 0.90 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL8991207 0.89 AURKA (0.40) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL8991272 0.88 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL8991378 0.87 ADORA2A (0.41) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL8991419 0.86 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DEGFR
SCHEMBL7696372 0.84 ADORA2A (0.48) HTTEGFRSRCNOTUMALDH1A1
SCHEMBL8991397 0.81 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL7700322 0.79 ADK (0.33) PDE4APDE4BPDE4CPDE4DEGFR
SCHEMBL8991388 0.79 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL8991103 0.79 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DMEN1

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
US-5543413-A VIRAL ACTIVITY AGAINST HUMAN CYTOMEGALOVIRUS AND HERPES SIMPLEX VIRUS REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1996-08-06 US disclosed