SCHEMBL10719650

SCHEMBL10719650

CCSc1nc(N)c2ncn([C@H]3C[C@@H]4O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]4O3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 5/20 0.37
▸ PNP P00491 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ NT5E P21589 1/20 0.35
▸ P2RX3 P56373 1/20 0.35
▸ STING1 Q86WV6 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
SCHEMBL6899409 0.85 PDE4D (0.49) ADORA3PNPLMNATP53HTT
SCHEMBL7894271 0.85 AHCY (0.46) ADORA3PNPLMNATP53HTT
SCHEMBL12352439 0.82 STING1 (0.52) ADORA3TP53STING1
SCHEMBL12222444 0.82 STING1 (0.52) ADORA3TP53STING1
SCHEMBL8624094 0.82 STING1 (0.52) ADORA3TP53STING1
SCHEMBL17772331 0.82 STING1 (0.52) ADORA3TP53STING1
SCHEMBL12729578 0.82 STING1 (0.52) ADORA3TP53STING1
SCHEMBL12595500 0.82 STING1 (0.52) ADORA3TP53STING1
SCHEMBL8668421 0.79 NT5E (0.36) PNPLMNATP53HTTPDE4D
SCHEMBL12729604 0.78 STING1 (0.46) PDE3ASTING1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62099394-A — — None — — JP disclosed
JP-S6299394-A NOVEL ADENOSINE DERIVATIVE SUMITOMO PHARMACEUT CO LTD 1987-05-08 — — JP disclosed
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