SCHEMBL12836757

SCHEMBL12836757

C[C@H]1[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)OC1(O)c1cnc2c(N)nc(N)nn12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.38
▸ HSPA5 P11021 3/20 0.37
▸ PTPN1 P18031 8/20 0.35
▸ CDC25B P30305 8/20 0.35
▸ HTR1A P08908 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ PTPN2 P17706 4/20 0.32
▸ PTPN6 P29350 4/20 0.32
▸ PTPN11 Q06124 4/20 0.32
▸ GJB2 P29033 1/20 0.31
▸ ATG7 O95352 1/20 0.31

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
SCHEMBL13667763 0.87 PTPN1 (0.38) PDE2AHSPA5PTPN1CDC25BHTR1A
SCHEMBL12243227 0.83 PDE2A (0.37) PDE2AHSPA5PTPN1CDC25BHTR1A
SCHEMBL13667496 0.83 PTPN1 (0.34) PDE2AHSPA5PTPN1CDC25BHTR1A
SCHEMBL12835936 0.82 PTPN1 (0.35) PDE2AHSPA5PTPN1CDC25BHTR1A
SCHEMBL12243232 0.80 HSPA5 (0.35) PDE2AHSPA5BCHE
SCHEMBL19997429 0.80 HSPA5 (0.35) PDE2AHSPA5BCHE
SCHEMBL2374198 0.80 HSPA5 (0.35) PDE2AHSPA5BCHE
SCHEMBL24539016 0.79 PDE2A (0.38) PDE2AHSPA5PTPN1CDC25BHTR1A
SCHEMBL18490453 0.79 PDE2A (0.38) PDE2AHSPA5PTPN1CDC25BHTR1A
SCHEMBL20434838 0.79 PDE2A (0.38) PDE2AHSPA5PTPN1CDC25BHTR1A

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
WO-2011035250-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS GILEAD SCIENCES, INC. (US) 2011-03-24 — — WO disclosed
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