SCHEMBL24160877

SCHEMBL24160877

CCOc1nc(SC)nn2c([C@]3(O)OC(COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3F)cnc12

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.34
▸ PTPN1 P18031 2/20 0.31
▸ CDC25B P30305 2/20 0.31
▸ TACR2 P21452 2/20 0.31
▸ BCHE P06276 1/20 0.30
▸ HTR1A P08908 1/20 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
SCHEMBL18788242 1.00 PDE2A (0.34) PDE2APTPN1CDC25BTACR2BCHE
SCHEMBL18788247 0.91 PDE2A (0.35) PDE2APTPN1CDC25BBCHEHTR1A
SCHEMBL15289762 0.84 — —
SCHEMBL13648927 0.84 PDE2A (0.34) PDE2APTPN1CDC25BBCHEHTR1A
SCHEMBL23773046 0.83 PDE4D (0.31) PDE2A
SCHEMBL13667496 0.83 PTPN1 (0.34) PDE2APTPN1CDC25BBCHEHTR1A
SCHEMBL24557910 0.81 PDE2A (0.34) PDE2APTPN1CDC25BBCHEHTR1A
SCHEMBL20404007 0.81 PDE2A (0.32) PDE2A
SCHEMBL18788241 0.80 PDE2A (0.42) PDE2APTPN1CDC25BTACR2BCHE
SCHEMBL19292338 0.80 PDE2A (0.32) PDE2APTPN1CDC25BBCHEHTR1A

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
EP-3932931-A1 A NEBULIZER COMPRISING A PHARMACEUTICAL COMPOSITION COMPRISING 2'- SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT Gilead Sciences, Inc. (US) 2022-01-05 — — EP disclosed
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