SCHEMBL28964589

SCHEMBL28964589

CCOC(=O)Cn1cnc2c(CO)ncnc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
RXFP1 Q9HBX9 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
EP300 Q09472 1/20 0.41
MITF O75030 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
P2RX7 Q99572 1/20 0.39

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
SCHEMBL28939516 0.84 FLT4 (0.62) FLT4KDRTSHRLMNAMKNK1
SCHEMBL29728010 0.83 ADORA2A (0.60) KDRLMNAEP300ALDH1A1EGFR
SCHEMBL1565498 0.83 ADORA2A (0.60) KDRLMNAEP300ALDH1A1EGFR
SCHEMBL28950122 0.82 KDR (0.46) FLT4KDRALDH1A1P2RX7EGFR
SCHEMBL27967584 0.73 TMIGD3 (0.65) TSHRRAB9ANPC1HTTKMT2A
SCHEMBL8646398 0.73 FLT4 (0.50) FLT4KDRTSHRMKNK1RAB9A
SCHEMBL28313408 0.73 FDPS (0.49) TSHRLMNARAB9ANPC1KDM4E
SCHEMBL28950092 0.72 ADORA2A (0.66) TSHRADORA2AADORA1AHCY
SCHEMBL14611764 0.72 CDK1 (0.48) TSHRLMNARAB9ANPC1RXFP1
SCHEMBL6694591 0.71 EGFR (0.60) KDRALDH1A1EGFRADORA2AADORA1

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
CN-115677807-A 6-position alpha-hydroxyalkylated purine compounds and methods for modification thereof 鲁东大学 2023-02-03 CN disclosed