SCHEMBL8991275

SCHEMBL8991275

CC(C)(C)c1ccc(Cn2cc([Se]C(N)=O)c3c(N)ncnc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.43
PI4KA P42356 2/20 0.37
PI4K2B Q8TCG2 2/20 0.37
PI4K2A Q9BTU6 2/20 0.37
PI4KB Q9UBF8 2/20 0.37
RET P07949 7/20 0.37
NR1H4 Q96RI1 4/20 0.37
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
F2R P25116 1/20 0.36
DOT1L Q8TEK3 1/20 0.36
ADORA2A P29274 1/20 0.36
ABL1 P00519 1/20 0.36
SRC P12931 1/20 0.36
ICMT O60725 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
SCHEMBL8991031 0.88 KDM4E (0.41) FLT3PI4KAPI4K2BPI4K2API4KB
SCHEMBL8991152 0.87 PDE4A (0.40) FLT3RETNR1H4ABCC8KCNJ11
SCHEMBL8991302 0.87 ADORA2A (0.49) FLT3PI4KAPI4K2BPI4K2API4KB
SCHEMBL8991091 0.85 EGFR (0.43) ABL1SRC
SCHEMBL7700399 0.84 FLT3 (0.45) FLT3PI4KAPI4K2BPI4K2API4KB
SCHEMBL8991105 0.81 EIF2AK3 (0.42) FLT3RETKDM4ETSHRMAPK1
SCHEMBL7704457 0.81 FLT3 (0.41) FLT3PI4KAPI4K2BPI4K2API4KB
SCHEMBL7704452 0.79 HTT (0.41) FLT3PI4KAPI4K2BPI4K2API4KB
SCHEMBL8991269 0.79 PI4KA (0.39) FLT3PI4KAPI4K2BPI4K2API4KB
SCHEMBL8991379 0.79 KDM4E (0.44) PI4KAPI4K2BPI4K2API4KBRET

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