SCHEMBL28827825

SCHEMBL28827825

CCc1nc(CC)nc(-c2ccc(OC)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 2/20 0.57
▸ CLK4 Q9HAZ1 1/20 0.50
▸ MAPT P10636 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ ADORA3 P0DMS8 3/20 0.46
▸ ADORA2B P29275 1/20 0.46
▸ HEXA P06865 1/20 0.45
▸ HEXB P07686 1/20 0.45
▸ DPP4 P27487 1/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP1A1 P04798 1/20 0.44
▸ CYP1B1 Q16678 1/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ S1PR1 P21453 1/20 0.44
▸ NR1H4 Q96RI1 1/20 0.44
▸ HSD17B10 Q99714 2/20 0.43

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
SCHEMBL28827834 0.85 CHRNA7 (0.59) CHRNA7CLK4MAPTKDM4ETP53
SCHEMBL1976140 0.83 CLK4 (0.48) CHRNA7CLK4MAPTKDM4ETP53
SCHEMBL28827818 0.82 HRH2 (0.51) CHRNA7CLK4MAPTKDM4ETP53
SCHEMBL28827857 0.81 CASP3 (0.51) CHRNA7CLK4MAPTKDM4ETP53
SCHEMBL338452 0.81 CLK4 (0.64) CLK4MAPTKDM4ETP53ADORA3
SCHEMBL4330910 0.80 L3MBTL1 (0.51) CLK4MAPTKDM4ETP53NPC1
SCHEMBL2876553 0.79 CLK4 (0.61) CLK4MAPTKDM4ETP53ADORA3
SCHEMBL15896952 0.79 CLK4 (0.61) CLK4MAPTKDM4ETP53ADORA3
SCHEMBL15131515 0.78 ADORA3 (0.41) ADORA3HEXAHEXBDPP4CYP1A2
SCHEMBL28827824 0.76 PDE4B (0.51) CHRNA7MAPTKDM4ETP53ADORA3

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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