SCHEMBL7701508

SCHEMBL7701508

NC(=O)Sc1cn(Cc2ccc(F)cc2)c2ncnc(N)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
HTT P42858 2/20 0.41
MAPT P10636 1/20 0.41
EIF2AK3 Q9NZJ5 1/20 0.37
SLC29A1 Q99808 1/20 0.37
RET P07949 5/20 0.37
RIPK2 O43353 1/20 0.36
ADORA2A P29274 1/20 0.36
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
FLT3 P36888 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SRC P12931 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
SCHEMBL7698505 0.89 FYN (0.39) HTTMAPTEIF2AK3SLC29A1RET
SCHEMBL7696372 0.88 ADORA2A (0.48) HTTRETADORA2API4KAPI4K2B
SCHEMBL7701572 0.87 EIF2AK3 (0.37) KMT2AMEN1POLBHTTMAPT
SCHEMBL7704457 0.86 FLT3 (0.41) RETPI4KAPI4K2BPI4K2API4KB
SCHEMBL7705468 0.86 EGFR (0.43) SLC29A1RIPK2SRCNSD3
SCHEMBL7700275 0.82 CFD (0.47) POLBHTTMAPTEIF2AK3RET
SCHEMBL7697687 0.81 RIPK1 (0.42) POLBHTTMAPTEIF2AK3RET
SCHEMBL7704465 0.78 EIF2AK3 (0.40) HTTEIF2AK3RIPK2KDM4ELMNA
SCHEMBL7701507 0.77 ADORA2A (0.50) HTTADORA2API4KAPI4K2BPI4K2A
SCHEMBL17406909 0.75 RPS6KB1 (0.41) HTTMAPTRETRIPK2ADORA2A

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-6342501-B1 VIRICIDES THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-01-29 US disclosed