SCHEMBL8991214

SCHEMBL8991214

CNc1ncnc2c1c(C(N)=S)c(N)n2COCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.38
SRC P12931 2/20 0.38
HSPA5 P11021 1/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
ADORA2A P29274 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36

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
SCHEMBL8991354 0.90 EGFR (0.38) EGFRSRCHSPA5MEN1KMT2A
SCHEMBL7700288 0.87 KDM4E (0.44) EGFRSRCKDM4ETSHRMAPK1
SCHEMBL8990963 0.86 MEN1 (0.48) EGFRSRCMEN1KMT2ANPC1
SCHEMBL8991004 0.85 YTHDC1 (0.31) EGFRSRC
SCHEMBL8991290 0.82 RET (0.33) MEN1KMT2ANPC1RAB9ANR2F2
SCHEMBL8991228 0.81 PDE4A (0.37) EGFRSRCHSPA5MEN1KMT2A
SCHEMBL8991180 0.80 LRRK2 (0.43) EGFRSRCHSPA5MEN1KMT2A
SCHEMBL8991365 0.79 ADORA2A (0.41) EGFRSRCHSPA5MEN1KMT2A
SCHEMBL8991221 0.77 MEN1 (0.39) SRCMEN1KMT2ANPC1RAB9A
SCHEMBL8991134 0.77 GAA (0.42) EGFRSRCMEN1KMT2ANPC1

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