SCHEMBL28827857

SCHEMBL28827857

CCCCCc1nc(CCCCC)nc(-c2ccc(OC)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.51
▸ SENP8 Q96LD8 1/20 0.51
▸ SENP7 Q9BQF6 1/20 0.51
▸ SENP6 Q9GZR1 1/20 0.51
▸ CHRNA7 P36544 2/20 0.49
▸ HRH2 P25021 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.47
▸ TLR8 Q9NR97 1/20 0.45
▸ CCNB2 O95067 1/20 0.44
▸ CDK1 P06493 1/20 0.44
▸ CCNB1 P14635 1/20 0.44
▸ GSK3A P49840 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ CCNB3 Q8WWL7 1/20 0.44
▸ PTGES O14684 2/20 0.44
▸ SIRT2 Q8IXJ6 1/20 0.43
▸ ADORA3 P0DMS8 5/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42

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
SCHEMBL28827818 0.95 HRH2 (0.51) CASP3SENP8SENP7SENP6CHRNA7
SCHEMBL28827834 0.88 CHRNA7 (0.59) CHRNA7HRH2HRH3SIRT2ADORA3
SCHEMBL28827874 0.81 GCGR (0.44) TLR8ADORA3MAPTKDM4EADORA2A
SCHEMBL28827825 0.81 CHRNA7 (0.57) CHRNA7ADORA3CLK4MAPTKDM4E
SCHEMBL28827855 0.80 SIRT2 (0.43) SIRT2ADORA3MAPTKDM4ETP53
SCHEMBL1959103 0.80 GPR84 (0.55) ADORA3MAPTKDM4ETP53
SCHEMBL28827815 0.80 CNR2 (0.48) TLR8ADORA3MAPTKDM4E
SCHEMBL28827858 0.80 RAB9A (0.46) TLR8SIRT2ADORA3MAPTKDM4E
SCHEMBL28827848 0.80 GPR84 (0.58) TLR8ADORA3MAPTTP53ADORA2A
SCHEMBL3434458 0.77 CHRNA7 (0.58) CASP3SENP8SENP7SENP6CHRNA7

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
CN-115010673-B Method for synthesizing 1,3, 5-triazine compounds under visible light-induced metal-free catalysis condition 河南大学 2024-01-30 — — CN disclosed
CN-115010673-A Method for synthesizing 1,3,5-triazine compound under visible light induction and metal-free catalysis condition 河南大学 2022-09-06 — — CN disclosed
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