SCHEMBL28267606

SCHEMBL28267606

Cc1cc(C)cc(-c2cc(NCCCNS(=O)(=O)c3ccccc3S(C)(=O)=O)nc(N)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 2/20 0.49
▸ HRH4 Q9H3N8 11/20 0.46
▸ TDP1 Q9NUW8 1/20 0.36
▸ NPY5R Q15761 4/20 0.36
▸ AGTR1 P30556 1/20 0.36
▸ AGTR2 P50052 1/20 0.36
▸ MAPK8 P45983 1/20 0.35
▸ TP53 P04637 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
SCHEMBL28267598 0.87 TLR8 (0.55) TLR8HRH4
SCHEMBL28265781 0.86 ALDH1A1 (0.46) TLR8HRH4MAPK8
SCHEMBL28265742 0.85 TLR8 (0.46) TLR8HRH4
SCHEMBL28267608 0.85 TLR8 (0.50) TLR8HRH4NPY5R
SCHEMBL28265753 0.84 TLR8 (0.46) TLR8HRH4
SCHEMBL15758068 0.83 NUDT1 (0.51) TLR8HRH4TDP1NPY5RAGTR1
SCHEMBL28265690 0.81 MAPT (0.45) TLR8HRH4MAPK8TP53
SCHEMBL28265699 0.80 MAPK14 (0.46) TLR8HRH4MAPK8
SCHEMBL28265859 0.80 TLR8 (0.43) TLR8HRH4TDP1
SCHEMBL28267602 0.79 HRH4 (0.47) TLR8HRH4

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
CN-105143206-B Pyrimidine -2,4- diamine derivative for treating cancer 托马斯·黑勒戴药物研究基金会 2019-01-15 — — CN disclosed
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