SCHEMBL13648927

SCHEMBL13648927

CSc1nc(SC)c2ncc(C3(O)O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3OCc3ccccc3)n2n1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.34
▸ PTPN1 P18031 7/20 0.33
▸ CDC25B P30305 6/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ BCHE P06276 1/20 0.32
▸ SSTR4 P31391 1/20 0.31
▸ HSPA5 P11021 1/20 0.31
▸ PTPN2 P17706 3/20 0.30
▸ PTPN6 P29350 2/20 0.30
▸ PTPN11 Q06124 2/20 0.30

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
SCHEMBL13667496 0.94 PTPN1 (0.34) PDE2APTPN1CDC25BHTR1ABCHE
SCHEMBL18788247 0.94 PDE2A (0.35) PDE2APTPN1CDC25BHTR1ABCHE
SCHEMBL19292338 0.91 PDE2A (0.32) PDE2APTPN1CDC25BHTR1ABCHE
SCHEMBL20404007 0.87 PDE2A (0.32) PDE2AHSPA5
SCHEMBL17106669 0.86 PTPN1 (0.34) PDE2APTPN1CDC25BHTR1ABCHE
SCHEMBL19412708 0.86 PTPN1 (0.34) PDE2APTPN1CDC25BHTR1ABCHE
SCHEMBL23773046 0.85 PDE4D (0.31) PDE2A
SCHEMBL23278055 0.85 PDE2A (0.32) PDE2AHSPA5
SCHEMBL12243144 0.85 PDE2A (0.30) PDE2A
SCHEMBL12393237 0.85 PDE2A (0.30) PDE2A

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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