SCHEMBL22911665

SCHEMBL22911665

COC(CO)C[C@H](n1c(=O)sc2c(=O)[nH]c(N)nc21)C(C)(C)F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 19/20 0.41
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
NFKB1 P19838 1/20 0.36
BLM P54132 1/20 0.36
VCP P55072 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL20457646 1.00 TLR7 (0.41) TLR7MEN1ALDH1A1LMNACYP3A4
SCHEMBL22911663 0.84 TLR7 (0.44) TLR7
SCHEMBL22281788 0.82 TLR7 (0.43) TLR7MEN1ALDH1A1LMNACYP3A4
SCHEMBL22911645 0.82 TLR7 (0.41) TLR7MEN1ALDH1A1LMNACYP3A4
SCHEMBL21083413 0.82 TLR7 (0.41) TLR7MEN1ALDH1A1LMNACYP3A4
SCHEMBL22911662 0.79 TLR7 (0.39) TLR7MEN1ALDH1A1LMNACYP3A4
SCHEMBL6983803 0.74 TLR7 (0.46) TLR7
SCHEMBL22911737 0.71 TLR7 (0.46) TLR7
SCHEMBL22911735 0.70 TLR7 (0.53) TLR7
SCHEMBL8440057 0.69 TLR7 (0.50) TLR7

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-3230298-B1 3-SUBSTITUTED 5-AMINO-6H-THIAZOLO[4,5-D]PYRIMIDINE-2,7-DIONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2021-01-20 EP disclosed