SCHEMBL8991194

SCHEMBL8991194

CNc1ncnc2c1c(C(N)=S)cn2Cc1cccc(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
ADRA1D P25100 1/20 0.39
ALDH1A1 P00352 4/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
YTHDC1 Q96MU7 2/20 0.37
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL8991103 0.88 PDE4A (0.50) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL8991231 0.87 GAA (0.41) MAPTTP53PDE4APDE4BPDE4C
SCHEMBL7697684 0.86 ADRA1D (0.41) MAPTTP53ADRA1DALDH1A1CYP11B1
SCHEMBL8991412 0.81 PDE4A (0.42) AURKARPS6KB1PDE4APDE4BPDE4C
SCHEMBL8991264 0.81 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DYTHDC1
SCHEMBL8991207 0.81 AURKA (0.40) MAPTTP53AURKARPS6KB1PDE4A
SCHEMBL8991221 0.79 MEN1 (0.39) MAPTTP53AURKARPS6KB1PDE4A
SCHEMBL8991365 0.77 ADORA2A (0.41) MAPTAURKARPS6KB1PDE4APDE4B
SCHEMBL8991388 0.77 PDE4A (0.50) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL8991063 0.76 GAA (0.41) MAPTTP53PDE4APDE4BPDE4C

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