SCHEMBL22560002

SCHEMBL22560002

Nc1nc2c([nH]c(=O)n2C2CCCCC2)c(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
TXN P10599 1/20 0.42
PNP P00491 1/20 0.41
HCAR1 Q9BXC0 2/20 0.41
ALDH1A1 P00352 2/20 0.40
PKM P14618 1/20 0.40
RGS12 O14924 2/20 0.40
USP2 O75604 2/20 0.40
RAB9A P51151 2/20 0.40
KEAP1 Q14145 2/20 0.40
NFE2L2 Q16236 2/20 0.40
MTOR P42345 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7615743 0.79 HCAR1 (0.41) PIK3CDPIK3CAPIK3CBPIK3CGHCAR1
SCHEMBL10981520 0.78 ADORA1 (0.42) PIK3CDPIK3CAPIK3CBPIK3CGHCAR1
SCHEMBL4623552 0.76 ADORA2A (0.46) HCAR1ALDH1A1PKMMTORKDM4E
SCHEMBL7623849 0.76 SIRT2 (0.44) PIK3CDPIK3CAPIK3CBPIK3CGHCAR1
SCHEMBL22039136 0.74 HCAR1 (0.45) PNPHCAR1ALDH1A1RGS12USP2
SCHEMBL21977265 0.72 PDE7A (0.58) PNPALDH1A1ADORA3ADORA2BBLM
SCHEMBL22039142 0.72 PDE7A (0.44) PNPHCAR1ALDH1A1RGS12USP2
SCHEMBL5935784 0.72 ADORA3 (0.61) PNPHCAR1ALDH1A1PKMMTOR
SCHEMBL23982069 0.71 ALDH1A1 (0.43) PNPALDH1A1MEN1KMT2A
SCHEMBL639181 0.71 EEF2K (0.42) PIK3CDPIK3CAPIK3CBPIK3CGHCAR1

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
US-10808059-B2 Polymer CANON KABUSHIKI KAISHA (JP) 2020-10-20 US disclosed