SCHEMBL28601746

SCHEMBL28601746

NC(=S)Nn1cnc2c(N)ncnc21

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.49
ADORA1 P30542 6/20 0.49
AHCY P23526 5/20 0.46
PI4KA P42356 5/20 0.45
PI4K2B Q8TCG2 5/20 0.45
PI4K2A Q9BTU6 5/20 0.45
PI4KB Q9UBF8 5/20 0.45
ADORA2B P29275 2/20 0.45
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
GSK3B P49841 1/20 0.43
EGFR P00533 1/20 0.43

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
SCHEMBL9621206 0.84 GSK3B (0.50) ADORA2AADORA1AHCYPI4KAPI4K2B
SCHEMBL28210687 0.79 ADORA2A (0.51) ADORA2AADORA1AHCYPI4KAPI4K2B
SCHEMBL9120 0.76 ADORA2A (0.59) ADORA2AADORA1AHCYPI4KAPI4K2B
SCHEMBL20208091 0.73 ADORA2A (0.56) ADORA2AADORA1AHCYPI4KAPI4K2B
SCHEMBL48453 0.72 ADORA2A (0.50) ADORA2AADORA1AHCYPI4KAPI4K2B
SCHEMBL28004601 0.72 ADORA2A (0.58) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL28004916 0.72 ADORA2A (0.58) ADORA2AADORA1AHCYPI4KAPI4K2B
SCHEMBL2342091 0.70 ADORA2A (0.60) ADORA2AADORA1AHCYPI4KAPI4K2B
SCHEMBL1357265 0.70 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL3802976 0.69 EGFR (0.61) PI4KAPI4K2BPI4K2API4KBLMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112946157-B Application of fluorescent thiourea derivatization reagent in detection of 3-chloro-1, 2-propanediol 武汉轻工大学 2023-10-27 CN claimed
CN-112946157-A Application of fluorescent thiourea derivatization reagent in 3-chloro-1, 2-propanediol detection 武汉轻工大学 2021-06-11 CN claimed
CN-112946157-B Application of fluorescent thiourea derivatization reagent in detection of 3-chloro-1, 2-propanediol 武汉轻工大学 2023-10-27 CN disclosed
CN-112946157-A Application of fluorescent thiourea derivatization reagent in 3-chloro-1, 2-propanediol detection 武汉轻工大学 2021-06-11 CN disclosed