SCHEMBL7769183

SCHEMBL7769183

CCP(CC)COCCn1cnc2c(Sc3ccccc3)nc(N)nc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 3/20 0.46
CYP2C19 P33261 4/20 0.44
CYP1A2 P05177 4/20 0.43
CYP2C9 P11712 3/20 0.43
HIF1A Q16665 3/20 0.43
CYP3A4 P08684 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PHLPP2 Q6ZVD8 1/20 0.43
CYP2D6 P10635 2/20 0.42
ADORA2A P29274 4/20 0.38
CDK1 P06493 2/20 0.37
CCNB1 P14635 2/20 0.37
CCNE1 P24864 2/20 0.37
CDK2 P24941 2/20 0.37
HK1 P19367 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
ADORA1 P30542 2/20 0.36
TMIGD3 P0DMS9 1/20 0.36
TLR9 Q9NR96 1/20 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
SCHEMBL7128679 0.87 CYP1A2 (0.41) SLC29A1CYP2C19CYP1A2CYP2C9HIF1A
SCHEMBL7590083 0.84 CYP2C19 (0.51) SLC29A1CYP2C19CYP1A2CYP2C9HIF1A
SCHEMBL7769665 0.84 CYP1A2 (0.47) SLC29A1CYP2C19CYP1A2CYP2C9HIF1A
SCHEMBL7759477 0.80 CYP2C19 (0.38) SLC29A1CYP2C19CYP1A2CYP2C9HIF1A
SCHEMBL7127274 0.80 FGFR1 (0.53) SLC29A1CYP2C19CYP1A2CYP2C9HIF1A
SCHEMBL7118711 0.80 CYP1A2 (0.38) SLC29A1CYP2C19CYP1A2CYP2C9HIF1A
SCHEMBL7769163 0.80 CYP1A2 (0.37) SLC29A1CYP2C19CYP1A2CYP2C9HIF1A
SCHEMBL7116885 0.79 SLC29A1 (0.41) SLC29A1CYP2C19CYP1A2CYP2C9HIF1A
SCHEMBL7119981 0.79 CYP2C19 (0.39) SLC29A1CYP2C19CYP1A2CYP2C9HIF1A
SCHEMBL7119963 0.79 SLC29A1 (0.37) SLC29A1CYP2C19CYP1A2CYP2C9HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0785208-B1 Phosphonate nucleotide compounds MITSUBISHI CHEM CORP (JP) 2001-03-21 EP disclosed
EP-0785208-A1 Phosphonate nucleotide compounds MITSUBISHI CHEMICAL CORPORATION (JP) 1997-07-23 EP disclosed