SCHEMBL30113157

SCHEMBL30113157

COCCN(CCOC)c1nc(N2CCC(OC)CC2)c2nc(N(CCO)CCO)nc(N3CCN(C)CC3)c2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 18/20 0.57
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
PDE2A O00408 1/20 0.51
RGS12 O14924 1/20 0.51
SLC22A2 O15244 1/20 0.51
SLC22A1 O15245 1/20 0.51
ABCC4 O15439 1/20 0.51
ABCC5 O15440 1/20 0.51
PDE6D O43924 1/20 0.51
PDE8A O60658 1/20 0.51
GMNN O75496 1/20 0.51
USP2 O75604 1/20 0.51
PDE5A O76074 1/20 0.51
ABCB11 O95342 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
HSP90AA1 P07900 1/20 0.51
CHRM2 P08172 1/20 0.51
ABCB1 P08183 1/20 0.51

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
SCHEMBL30112978 1.00 SLC29A1 (0.57) SLC29A1KDM4EMEN1PDE2ARGS12
SCHEMBL30112967 1.00 SLC29A1 (0.57) SLC29A1KDM4EMEN1PDE2ARGS12
SCHEMBL25205562 0.94 SLC29A1 (0.63) SLC29A1KDM4EMEN1PDE2ARGS12
SCHEMBL30113046 0.94 SLC29A1 (0.63) SLC29A1KDM4EMEN1PDE2ARGS12
SCHEMBL25214099 0.94 SLC29A1 (0.63) SLC29A1KDM4EMEN1PDE2ARGS12
SCHEMBL30113096 0.94 SLC29A1 (0.63) SLC29A1KDM4EMEN1PDE2ARGS12
SCHEMBL30112941 0.90 SLC29A1 (0.53) SLC29A1KDM4EMEN1PDE2ARGS12
SCHEMBL30113026 0.90 SLC29A1 (0.53) SLC29A1KDM4EMEN1PDE2ARGS12
SCHEMBL25489001 0.89 SLC29A1 (0.57) SLC29A1KDM4EMEN1PDE2ARGS12
SCHEMBL25488997 0.89 SLC29A1 (0.57) SLC29A1KDM4EMEN1PDE2ARGS12

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
EP-4110784-A1 PYRIMIDO[5,4-D]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-01-04 EP claimed