SCHEMBL31337205

SCHEMBL31337205

Cc1nn(C)c2ncnc(O)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.51
PIK3CD O00329 4/20 0.41
PIK3CA P42336 4/20 0.41
PIK3CB P42338 4/20 0.41
PIK3CG P48736 4/20 0.41
PRKDC P78527 4/20 0.41
ABL1 P00519 3/20 0.41
EGFR P00533 3/20 0.41
HCK P08631 3/20 0.41
SRC P12931 3/20 0.41
MTOR P42345 3/20 0.41
EPHB4 P54760 3/20 0.41
KDR P35968 2/20 0.41
PI4KB Q9UBF8 2/20 0.41
NR3C1 P04150 10/20 0.38
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL23580425 1.00 NOTUM (0.51) NOTUMPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12647324 0.82 NOTUM (0.51) NOTUMPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14167665 0.79 PIK3CD (0.38) NOTUMPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL10260251 0.78 PIK3CD (0.52) NOTUMPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL15147293 0.78 NOTUM (0.49) NOTUMPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1923871 0.77 NOTUM (0.48) NOTUMPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12590760 0.77 NOTUM (0.58) NOTUMPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL13019651 0.74 YTHDC1 (0.46) NOTUMPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL29255643 0.72 NR3C1 (0.40) NOTUMPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL24121741 0.69 XIAP (0.32) NOTUM

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
CN-115151550-B External nucleotide pyrophosphatase/phosphodiesterase 1 (ENPP 1) modulators and uses thereof 桑福德·伯纳姆·普雷比医学发现研究所 2024-11-22 CN disclosed