SCHEMBL29529372

SCHEMBL29529372

Nc1ncnc2nc(Br)[nH]c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 1.00
ADORA1 P30542 1/20 1.00
NUDT1 P36639 2/20 0.56
PI4KA P42356 8/20 0.53
PI4K2B Q8TCG2 8/20 0.53
PI4K2A Q9BTU6 8/20 0.53
PI4KB Q9UBF8 8/20 0.53
LMNA P02545 3/20 0.47
TSHR P16473 1/20 0.47
DRD3 P35462 1/20 0.47
XDH P47989 1/20 0.47
LRRK2 Q5S007 1/20 0.47
ERBB2 P04626 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
PKM P14618 1/20 0.44
APEX1 P27695 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ERAP1 Q9NZ08 1/20 0.42

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
SCHEMBL8566 1.00 ADORA2A (1.00) ADORA2AADORA1NUDT1PI4KAPI4K2B
SCHEMBL8342350 0.90 ADORA2A (0.81) ADORA2AADORA1NUDT1PI4KAPI4K2B
Pyrophosphoric Acid SCHEMBL6065979 0.84 ADORA2A (0.71) ADORA2AADORA1NUDT1PI4KAPI4K2B
SCHEMBL42314 0.79 ADORA2A (0.66) ADORA2AADORA1NUDT1PI4KAPI4K2B
SCHEMBL29400753 0.79 ADORA2A (0.66) ADORA2AADORA1NUDT1PI4KAPI4K2B
SCHEMBL1059581 0.78 NUDT1 (0.68) ADORA2AADORA1NUDT1PI4KAPI4K2B
SCHEMBL30109321 0.78 NUDT1 (0.68) ADORA2AADORA1NUDT1PI4KAPI4K2B
Niacinamide SCHEMBL3281893 0.76 ADORA2A (0.58) ADORA2AADORA1NUDT1PI4KAPI4K2B
SCHEMBL842440 0.76 ADORA2A (0.61) ADORA2AADORA1NUDT1PI4KAPI4K2B
SCHEMBL931970 0.76 ADORA2A (0.61) ADORA2AADORA1NUDT1PI4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4731186-A2 METHODS AND COMPOSITIONS FOR TREATING EPITHELIAL DISEASES The Regents of the University of California (US) 2026-04-29 EP disclosed
WO-2024263919-A2 METHODS AND COMPOSITIONS FOR TREATING EPITHELIAL DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-12-26 WO disclosed
EP-4298104-A1 HYDROCINNAMOYL PROTECTED RIBOGUANOSINE PHOSPHORAMIDITES FOR DECREASING DEPYRIMIDINATION FROM ALKYL AMINE EXPOSURE DURING FINAL DEPROTECTION Agilent Technologies, Inc. (US) 2024-01-03 EP disclosed
WO-2022183081-A9 HYDROCINNAMOYL PROTECTED RIBOGUANOSINE PHOSPHORAMIDITES FOR DECREASING DEPYRIMIDINATION FROM ALKYL AMINE EXPOSURE DURING FINAL DEPROTECTION AGILENT TECHNOLOGIES, INC. (US) 2023-09-21 WO disclosed
WO-2022268932-A1 SYSTEMS AND METHODS FOR SINGLE CELL ANALYSIS THERMO FISHER SCIENTIFIC GENEART GMBH (DE) 2022-12-29 WO disclosed
EP-4069205-A1 EXOSOMES-BASED THERAPY FOR LIVER FIBROSIS AND OTHER DISEASES ASSOCIATED WITH FIBROSIS Board of Regents, The University of Texas System (US) 2022-10-12 EP disclosed
WO-2022183081-A1 HYDROCINNAMOYL PROTECTED RIBOGUANOSINE PHOSPHORAMIDITES FOR DECREASING DEPYRIMIDINATION FROM ALKYL AMINE EXPOSURE DURING FINAL DEPROTECTION AGILENT TECHNOLOGIES, INC. (US) 2022-09-01 WO disclosed
WO-2022162536-A1 SINGLE STRANDED DNA ENZYME INHIBITORS MASSEY UNIVERSITY (NZ) 2022-08-04 WO disclosed
EP-3980563-A2 NTRK FUSION MOLECULES AND USES THEREOF Foundation Medicine, Inc. (US) 2022-04-13 EP disclosed