SCHEMBL18560720

SCHEMBL18560720

Nn1cnc2nc[nH]c2c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
THRB P10828 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PI4KA P42356 2/20 0.41
PI4K2B Q8TCG2 2/20 0.41
PI4K2A Q9BTU6 2/20 0.41
PI4KB Q9UBF8 2/20 0.41
LMNA P02545 2/20 0.41
DRD3 P35462 1/20 0.41
XDH P47989 1/20 0.41
LRRK2 Q5S007 1/20 0.41
PNP P00491 1/20 0.41
HTT P42858 3/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
DPP4 P27487 1/20 0.38
AKT2 P31751 3/20 0.38
ALOX15 P16050 1/20 0.38
MAP3K5 Q99683 1/20 0.38
ATAD2 Q6PL18 1/20 0.37

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
SCHEMBL94914 0.77 ALDH1A1 (0.52) ALDH1A1PI4KAPI4K2BPI4K2API4KB
SCHEMBL16513159 0.77 ALDH1A1 (0.52) ALDH1A1PI4KAPI4K2BPI4K2API4KB
SCHEMBL8354950 0.77 ALDH1A1 (0.52) ALDH1A1PI4KAPI4K2BPI4K2API4KB
SCHEMBL612165 0.77 ALDH1A1 (0.52) ALDH1A1PI4KAPI4K2BPI4K2API4KB
SCHEMBL2115743 0.77 ALDH1A1 (0.52) ALDH1A1LMNAHTTTP53ATAD2
SCHEMBL1866522 0.70 PDE4A (0.49) ALDH1A1ADORA2AADORA2BADORA3PDE4A
SCHEMBL41788 0.70 PNP (0.50) ALDH1A1PI4KAPI4K2BPI4K2API4KB
Hypoxanthine SCHEMBL7037918 0.69 ALDH1A1 (1.00) ALDH1A1PI4KAPI4K2BPI4K2API4KB
Hypoxanthine SCHEMBL25381 0.69 ALDH1A1 (1.00) ALDH1A1PI4KAPI4K2BPI4K2API4KB
Hypoxanthine SCHEMBL30096461 0.69 ALDH1A1 (1.00) ALDH1A1PI4KAPI4K2BPI4K2API4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4493573-A1 COMPOUNDS AND METHODS FOR TREATING DISEASE Rome Therapeutics, Inc. (US) 2025-01-22 EP disclosed
WO-2023178133-A9 COMPOUNDS AND METHODS FOR TREATING DISEASE ROME THERAPEUTICS, INC. (US) 2023-10-26 WO disclosed
WO-2023178133-A1 COMPOUNDS AND METHODS FOR TREATING DISEASE ROME THERAPEUTICS, INC. (US) 2023-09-21 WO disclosed
US-20210317407-A1 METHODS AND COMPOSITIONS FOR STIMULATION OF CHIMERIC ANTIGEN RECEPTOR T CELLS WITH HAPTEN LABELLED CELLS Seattle Children's Hospital (dba Seattle Children's Research Institute) 2021-10-14 US disclosed
EP-3135487-A1 MULTILAYER CONTAINER FOR ENHANCED GAS BARRIER PROPERTIES The Coca-Cola Company (US) 2017-03-01 EP disclosed