SCHEMBL29399201

SCHEMBL29399201

Cc1cc(-c2ccc(N3CCN(C4CCC4)CC3)cc2)cc2c1nc(-c1ccc(S(C)(=O)=O)cc1)n2C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 4/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ KDM2B Q8NHM5 11/20 0.42
▸ JAK2 O60674 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ PTK2 Q05397 1/20 0.41
▸ ADRA1A P35348 2/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.38
▸ MAP4K1 Q92918 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
SCHEMBL24266306 1.00 HRH3 (0.42) HRH3HRH1KDM2BJAK2JAK3
SCHEMBL24266312 0.93 JAK3 (0.41) HRH3HRH1JAK2JAK3PTK2
SCHEMBL29397025 0.93 JAK3 (0.44) JAK2JAK3PTK2PTGS1PTGS2
SCHEMBL24266195 0.93 JAK3 (0.44) JAK2JAK3PTK2PTGS1PTGS2
SCHEMBL30541679 0.87 HRH3 (0.44) HRH3HRH1KDM2BJAK2JAK3
SCHEMBL25366282 0.87 HRH3 (0.44) HRH3HRH1KDM2BJAK2JAK3
SCHEMBL29396667 0.86 MAP4K1 (0.38) JAK2JAK3PTK2PTGS1PTGS2
SCHEMBL24266305 0.86 MAP4K1 (0.38) JAK2JAK3PTK2PTGS1PTGS2
SCHEMBL24266709 0.84 CYP17A1 (0.40) JAK2JAK3PTK2PTGS1PTGS2
SCHEMBL29399473 0.84 CYP17A1 (0.40) JAK2JAK3PTK2PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4200292-B1 1H-BENZO[D]IMIDAZOLE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2024-11-13 — — EP claimed
EP-4200292-A1 1H-BENZO[D]IMIDAZOLE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS Bristol-Myers Squibb Company (US) 2023-06-28 — — EP claimed
CN-116075510-A 1H-benzo [ d ] imidazole derivatives as TLR9 inhibitors for the treatment of fibrosis 百时美施贵宝公司 2023-05-05 — — CN claimed
WO-2022040260-A1 1H-BENZO[D]IMIDAZOLE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-02-24 — — WO claimed
EP-4200292-A1 1H-BENZO[D]IMIDAZOLE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS Bristol-Myers Squibb Company (US) 2023-06-28 — — EP disclosed
CN-116075510-A 1H-benzo [ d ] imidazole derivatives as TLR9 inhibitors for the treatment of fibrosis 百时美施贵宝公司 2023-05-05 — — CN disclosed
WO-2022040260-A1 1H-BENZO[D]IMIDAZOLE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-02-24 — — WO disclosed
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