SCHEMBL19945803

SCHEMBL19945803

CNc1c(N)nc(S)nc1N(C=O)Cc1ccc(C)cc1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL19945798 0.89 KCNQ3 (0.32) ALDH1A1
SCHEMBL19945786 0.89 RAB9A (0.37) ALDH1A1
SCHEMBL19945779 0.81 MEN1 (0.36) ALDH1A1
SCHEMBL19945526 0.73 ADORA3 (0.36) ALDH1A1
SCHEMBL21318963 0.71 TSHR (0.31) —
SCHEMBL21318984 0.71 KMT2A (0.34) ALDH1A1
SCHEMBL20343740 0.70 SLC26A6 (0.37) ALDH1A1
SCHEMBL19945665 0.70 ABCB1 (0.38) ALDH1A1
SCHEMBL21318986 0.70 ADORA3 (0.31) ALDH1A1
SCHEMBL21319065 0.70 MEN1 (0.36) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3970750-A1 COMBINED TREATMENT WITH A TLR7 AGONIST AND AN HBV CAPSID ASSEMBLY INHIBITOR F. Hoffmann-La Roche AG (CH) 2022-03-23 — — EP disclosed
EP-3865482-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2021-08-18 — — EP disclosed
EP-3504210-B1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2021-02-24 — — EP disclosed
WO-2018050571-A1 COMBINED TREATMENT WITH A TLR7 AGONIST AND AN HBV CAPSID ASSEMBLY INHIBITOR F. HOFFMANN-LA ROCHE AG (CH) 2018-03-22 — — WO disclosed
WO-2018041763-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2018-03-08 — — WO disclosed
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