SCHEMBL13648874

SCHEMBL13648874

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.44
▸ HTR1A P08908 1/20 0.39
▸ HSPA5 P11021 1/20 0.38
▸ PTPN1 P18031 8/20 0.37
▸ CDC25B P30305 8/20 0.37
▸ BCHE P06276 1/20 0.36
▸ PTPN2 P17706 4/20 0.36
▸ PTPN6 P29350 4/20 0.36
▸ PTPN11 Q06124 4/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ SSTR1 P30872 1/20 0.36
▸ SSTR2 P30874 1/20 0.36
▸ SSTR4 P31391 1/20 0.36
▸ SSTR3 P32745 1/20 0.36
▸ SSTR5 P35346 1/20 0.36
▸ GJB2 P29033 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
SCHEMBL18787315 0.89 PDE2A (0.52) PDE2AHTR1AHSPA5PTPN1CDC25B
SCHEMBL20404119 0.86 PDE2A (0.42) PDE2AHSPA5
SCHEMBL21046350 0.82 PDE2A (0.43) PDE2AHTR1AHSPA5PTPN1CDC25B
SCHEMBL19859840 0.81 PDE2A (0.42) PDE2AHTR1AHSPA5PTPN1CDC25B
SCHEMBL24160854 0.81 PDE2A (0.39) PDE2AHTR1APTPN1CDC25BBCHE
SCHEMBL18787314 0.81 PDE2A (0.51) PDE2AHTR1AHSPA5PTPN1CDC25B
SCHEMBL23369100 0.80 HSPA5 (0.39) PDE2AHSPA5CA1CA2CA9
SCHEMBL25379329 0.80 PDE2A (0.44) PDE2AHTR1AHSPA5PTPN1CDC25B
SCHEMBL18490316 0.80 PDE2A (0.44) PDE2AHTR1AHSPA5PTPN1CDC25B
SCHEMBL17106846 0.80 PDE2A (0.44) PDE2AHTR1AHSPA5PTPN1CDC25B

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-2009132123-A1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2009-10-29 — — WO disclosed
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