SCHEMBL19945228

SCHEMBL19945228

CCSc1nc(N)c(NC)c(N(C=O)Cc2ccc(C)cc2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ MAPT P10636 3/20 0.34
▸ RECQL P46063 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ABCB1 P08183 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HTT P42858 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 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
SCHEMBL19945779 0.91 MEN1 (0.36) RAB9AALDH1A1MAPTRECQLNPC1
SCHEMBL19945526 0.90 ADORA3 (0.36) RAB9AALDH1A1MAPTNPC1SMN1; SMN2
SCHEMBL19945582 0.90 HTT (0.34) RAB9AALDH1A1MAPTNPC1ABCB1
SCHEMBL19945803 0.83 ALDH1A1 (0.33) ALDH1A1
SCHEMBL21318963 0.82 TSHR (0.31) TSHRL3MBTL1
SCHEMBL21318984 0.82 KMT2A (0.34) RAB9AALDH1A1NPC1ABCB1MEN1
SCHEMBL19945665 0.81 ABCB1 (0.38) RAB9AALDH1A1MAPTNPC1SMN1; SMN2
SCHEMBL21318986 0.80 ADORA3 (0.31) ALDH1A1MEN1KMT2AGAAHPGD
SCHEMBL21319005 0.79 TLR7 (0.31) RAB9AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL21319065 0.78 MEN1 (0.36) ALDH1A1MAPTTSHRSMN1; SMN2MEN1

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 7 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-3512556-B1 COMBINED TREATMENT WITH A TLR7 AGONIST AND AN HBV CAPSID ASSEMBLY INHIBITOR HOFFMANN LA ROCHE (CH) 2021-08-18 — — 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
EP-3294740-B1 NOVEL SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2019-09-04 — — 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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