SCHEMBL28929664

SCHEMBL28929664

NNc1ncnc2c1nc(-c1cccc3ccccc13)n2-c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 4/20 0.43
PI4K2B Q8TCG2 4/20 0.43
PI4K2A Q9BTU6 4/20 0.43
PI4KB Q9UBF8 4/20 0.43
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
RIPK2 O43353 1/20 0.36
PRKD3 O94806 1/20 0.36
ABL1 P00519 1/20 0.36
FYN P06241 1/20 0.36
SRC P12931 1/20 0.36
CDK2 P24941 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
SCHEMBL28627143 0.85 PI4KA (0.44) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL28646116 0.84 PI4KA (0.40) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL28499242 0.83 ALDH1A1 (0.51) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL28930104 0.81 PI4KA (0.42) PI4KAPI4K2BPI4K2API4KBKDM4E
SCHEMBL29035863 0.78 PI4KA (0.40) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL28670338 0.73 HSP90AA1 (0.31)
SCHEMBL30760997 0.73 CYP1A2 (0.43) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL24569796 0.69 CNR1 (0.57) ADORA3ADORA2AADORA1CNR1CNR2
SCHEMBL28632315 0.66 PI4KA (0.44) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL4866386 0.61 NPC1 (0.46) PI4KAPI4K2BPI4K2API4KBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117486883-A Purinyl fluorescent probe EDPH and application thereof in detection of content of hydrogen sulfide or Hela cell imaging 江苏科技大学 2024-02-02 CN disclosed
CN-114014891-B Purine ring modified fluorescent probe and application thereof in detection of cobalt ions 江苏科技大学 2023-10-03 CN disclosed
CN-114106018-B Metal ion detection fluorescent probe based on purine parent, and preparation method and application thereof 江苏科技大学 2023-07-25 CN disclosed
CN-113980021-B Preparation method and application of fluorescent probe for detecting bimetallic ions 江苏科技大学 2023-02-28 CN disclosed
CN-114409646-B Fluorescent probe for detecting copper ions and preparation method and application thereof 江苏科技大学 2022-12-02 CN disclosed
CN-114409646-A Fluorescent probe for detecting copper ions and preparation method and application thereof 江苏科技大学 2022-04-29 CN disclosed
CN-114106018-A Purine matrix-based metal ion detection fluorescent probe and preparation method and application thereof 江苏科技大学 2022-03-01 CN disclosed
CN-114014891-A Purine ring modified fluorescent probe and application thereof in cobalt ion detection 江苏科技大学 2022-02-08 CN disclosed
CN-113980021-A Preparation method and application of fluorescent probe for detecting bimetallic ions 江苏科技大学 2022-01-28 CN disclosed
CN-113735858-A Purine matrix-based aluminum ion detection fluorescent probe and preparation method and application thereof 坛墨质检科技股份有限公司 2021-12-03 CN disclosed
CN-113512041-A Purine matrix-based zinc ion detection fluorescent probe and preparation method and application thereof 坛墨质检科技股份有限公司 2021-10-19 CN disclosed