SCHEMBL20404007

SCHEMBL20404007

CSc1nc(SC)c2ncc([C@]3(O)O[C@H](COCc4ccccc4)[C@@H](C)[C@H]3F)n2n1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.32
▸ HSPA5 P11021 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
SCHEMBL18788247 0.90 PDE2A (0.35) PDE2AHSPA5
SCHEMBL24160853 0.89 PDE2A (0.30) PDE2A
SCHEMBL13667496 0.87 PTPN1 (0.34) PDE2AHSPA5
SCHEMBL13648927 0.87 PDE2A (0.34) PDE2AHSPA5
SCHEMBL23773046 0.84 PDE4D (0.31) PDE2A
SCHEMBL15257384 0.83 — —
SCHEMBL19292338 0.83 PDE2A (0.32) PDE2A
SCHEMBL23278055 0.82 PDE2A (0.32) PDE2AHSPA5
SCHEMBL24160877 0.81 PDE2A (0.34) PDE2A
SCHEMBL18788242 0.81 PDE2A (0.34) 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
EP-3351552-A1 2'- SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT Gilead Sciences, Inc. (US) 2018-07-25 — — EP disclosed
Send feedback