SCHEMBL8991378

SCHEMBL8991378

CNc1ncnc2c1c(SC(N)=O)cn2COCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.41
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
EGFR P00533 1/20 0.38
SRC P12931 1/20 0.38
ADK P55263 2/20 0.38
LMNA P02545 1/20 0.37
IGF1R P08069 1/20 0.37
ALDH1A1 P00352 1/20 0.34
HSPA5 P11021 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
AURKA O14965 2/20 0.33
RPS6KB1 P23443 2/20 0.33
JAK2 O60674 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL8991110 0.87 PDE4A (0.50) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL7699500 0.86 IGF1R (0.42) EGFRSRCIGF1RKDM4EBTK
SCHEMBL7700322 0.86 ADK (0.33) PDE4APDE4BPDE4CPDE4DEGFR
SCHEMBL8991346 0.83 PDE4A (0.40) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL7699597 0.83 ADK (0.35) ADKRET
SCHEMBL8991365 0.81 ADORA2A (0.41) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL8991228 0.80 PDE4A (0.37) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL8991207 0.78 AURKA (0.40) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL8991419 0.78 PDE4A (0.40) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL8991244 0.78 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DLMNA

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