SCHEMBL7773604

SCHEMBL7773604

CCOc1ccc(Sc2nc(N)nc3c2ncn3CC(C)OCP)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 4/20 0.47
CYP1A2 P05177 5/20 0.42
CYP2C19 P33261 5/20 0.40
CYP2C9 P11712 4/20 0.40
HIF1A Q16665 4/20 0.40
CYP3A4 P08684 4/20 0.40
CYP2D6 P10635 3/20 0.40
TP53 P04637 1/20 0.40
HK1 P19367 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PHLPP2 Q6ZVD8 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7773545 0.93 SLC29A1 (0.48) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7769196 0.93 SLC29A1 (0.48) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7769563 0.91 SLC29A1 (0.46) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7771395 0.91 SLC29A1 (0.45) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7765675 0.90 SLC29A1 (0.44) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7765684 0.89 SLC29A1 (0.44) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7773551 0.88 CYP1A2 (0.49) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7128278 0.86 CYP3A4 (0.52) SLC29A1CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL7129322 0.84 SLC29A1 (0.41) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7127184 0.84 SLC29A1 (0.41) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A

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