SCHEMBL30557377

SCHEMBL30557377

CC(C)N1CCN(c2ccc(-c3ccc4nc(-c5ccc(S(C)(=O)=O)cc5)n(C)c4n3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.47
▸ ALK Q9UM73 4/20 0.43
▸ PTGS2 P35354 5/20 0.40
▸ SYK P43405 1/20 0.40
▸ JAK2 O60674 2/20 0.39
▸ JAK3 P52333 2/20 0.39
▸ PTK2 Q05397 2/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ GRM2 Q14416 1/20 0.39
▸ TNF P01375 1/20 0.39
▸ AKR1C3 P42330 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KLF5 Q13887 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL25366146 1.00 HRH3 (0.47) HRH3ALKPTGS2SYKJAK2
SCHEMBL25368100 0.90 HRH3 (0.37) HRH3ALKPTGS2JAK2JAK3
SCHEMBL30557460 0.90 HRH3 (0.37) HRH3ALKPTGS2JAK2JAK3
SCHEMBL30557586 0.87 PTGS2 (0.40) HRH3PTGS2MAOAMAOBGRM2
SCHEMBL25362939 0.87 PTGS2 (0.40) HRH3PTGS2MAOAMAOBGRM2
SCHEMBL25365448 0.87 HRH3 (0.43) HRH3ALKPTGS2SYKJAK2
SCHEMBL30557349 0.84 HRH3 (0.43) HRH3ALKPTGS2SYKJAK2
SCHEMBL25365599 0.84 HRH3 (0.43) HRH3ALKPTGS2SYKJAK2
SCHEMBL25364691 0.82 CYP2D6 (0.40) PTGS2JAK2JAK3PTK2JAK1
SCHEMBL30557474 0.82 CYP2D6 (0.40) PTGS2JAK2JAK3PTK2JAK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4479135-A1 SUBSTITUTED IMIDAZOPYRIDINYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 Bristol-Myers Squibb Company (US) 2024-12-25 — — EP disclosed
CN-118786130-A Substituted imidazopyridinyl compounds useful as TLR9 inhibitors 百时美施贵宝公司 2024-10-15 — — CN disclosed
WO-2023159154-A9 SUBSTITUTED IMIDAZOPYRIDINYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL-MYERS SQUIBB COMPANY (US) 2024-10-10 — — WO disclosed
WO-2023159154-A1 SUBSTITUTED IMIDAZOPYRIDINYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-24 — — WO disclosed
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