SCHEMBL29055018

SCHEMBL29055018

COc1cc2ncnc(-c3ccc(C(N)=O)nc3)c2cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.60
KIT P10721 7/20 0.55
PDE4A P27815 2/20 0.48
PDE4B Q07343 2/20 0.48
PDE4C Q08493 2/20 0.48
PDE4D Q08499 2/20 0.48
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
MTOR P42345 1/20 0.47
PIK3CG P48736 1/20 0.47
PDE10A Q9Y233 2/20 0.45
APP P05067 1/20 0.44
KDR P35968 2/20 0.43
AURKA O14965 1/20 0.43
MET P08581 1/20 0.43
TEK Q02763 1/20 0.43
AURKB Q96GD4 1/20 0.43
PDK1 Q15118 1/20 0.42
CSF1R P07333 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
SCHEMBL30080208 1.00 ENPP1 (0.60) ENPP1KITPDE4APDE4BPDE4C
SCHEMBL183550 0.86 PIK3CD (0.62) ENPP1KITPDE4APDE4BPDE4C
SCHEMBL5569427 0.84 KIT (0.58) ENPP1KITPIK3CDPIK3CAPIK3CB
SCHEMBL23726135 0.81 KIT (0.57) ENPP1KITPIK3CDPIK3CAPIK3CB
SCHEMBL30079943 0.81 KIT (0.57) ENPP1KITPIK3CDPIK3CAPIK3CB
SCHEMBL30080096 0.80 ENPP1 (0.69) ENPP1KITPIK3CDPIK3CAPIK3CB
SCHEMBL23726401 0.80 ENPP1 (0.69) ENPP1KITPIK3CDPIK3CAPIK3CB
SCHEMBL6179414 0.79 KIT (0.59) ENPP1KITPIK3CDPIK3CAPIK3CB
SCHEMBL23727016 0.78 PDE10A (0.59) ENPP1KITPIK3CDPIK3CAPIK3CB
SCHEMBL30080146 0.78 PDE10A (0.59) ENPP1KITPIK3CDPIK3CAPIK3CB

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-115362145-A Ecto-nucleotide pyrophosphatase/phosphodiesterase 1 (ENPP 1) inhibitors and methods of use thereof 斯汀格瑞治疗股份有限公司 2022-11-18 CN disclosed