SCHEMBL30557474

SCHEMBL30557474

CC(C)CN1CC2(CCN(c3ccc(-c4ccc5nc(-c6ccc(S(C)(=O)=O)cc6)n(C)c5n4)cc3)CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 4/20 0.40
▸ GRM2 Q14416 1/20 0.36
▸ KCNJ1 P48048 1/20 0.36
▸ PTGS2 P35354 5/20 0.36
▸ JAK2 O60674 5/20 0.35
▸ JAK3 P52333 5/20 0.35
▸ PTK2 Q05397 4/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ USP2 O75604 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ TSHR P16473 3/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HIF1A Q16665 1/20 0.34

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
SCHEMBL25364691 1.00 CYP2D6 (0.40) CYP2D6GRM2KCNJ1PTGS2JAK2
SCHEMBL25364788 0.93 PTGS2 (0.39) CYP2D6GRM2PTGS2MAOAMAOB
SCHEMBL30557465 0.93 PTGS2 (0.39) CYP2D6GRM2PTGS2MAOAMAOB
SCHEMBL30557460 0.89 HRH3 (0.37) GRM2PTGS2JAK2JAK3PTK2
SCHEMBL25368100 0.89 HRH3 (0.37) GRM2PTGS2JAK2JAK3PTK2
SCHEMBL25368054 0.87 GRM2 (0.42) GRM2KCNJ1PTGS2JAK2JAK3
SCHEMBL30557471 0.87 GRM2 (0.42) GRM2KCNJ1PTGS2JAK2JAK3
SCHEMBL25367392 0.84 GPR119 (0.42) CYP2D6KCNJ1PTGS2USP2CYP1A2
SCHEMBL30541576 0.84 GPR119 (0.42) CYP2D6KCNJ1PTGS2USP2CYP1A2
SCHEMBL25366146 0.82 HRH3 (0.47) GRM2PTGS2JAK2JAK3PTK2

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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