SCHEMBL8991302

SCHEMBL8991302

NC(=O)[Se]c1cn(Cc2ccccc2)c2ncnc(N)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.49
PI4KA P42356 1/20 0.49
PI4K2B Q8TCG2 1/20 0.49
PI4K2A Q9BTU6 1/20 0.49
PI4KB Q9UBF8 1/20 0.49
RET P07949 1/20 0.47
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
FLT3 P36888 1/20 0.44
SRC P12931 6/20 0.43
EGFR P00533 5/20 0.41
ABL1 P00519 3/20 0.41
ABL2 P42684 3/20 0.41
ADORA1 P30542 1/20 0.41
CDK1 P06493 2/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40

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
SCHEMBL8991031 0.90 KDM4E (0.41) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL8991275 0.87 FLT3 (0.43) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL8991105 0.87 EIF2AK3 (0.42) RETMAPK1KDM4ETSHRHTT
SCHEMBL8991256 0.85 KDM4E (0.40) RETMAPK1KDM4ETSHRHTT
SCHEMBL8991397 0.84 PDE4A (0.51) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL7701218 0.82 RET (0.52) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL7696372 0.80 ADORA2A (0.48) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL7696370 0.78 ADORA2A (0.51) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL8991292 0.78 ADORA2A (0.51) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL7703239 0.77 SRC (0.38) ADORA2API4KAPI4K2BPI4K2API4KB

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