SCHEMBL29396361

SCHEMBL29396361

Cc1nc(-c2ccc(N3CCOCC3)cc2)cc2c1cc(-c1ccc(S(C)(=O)=O)cc1)n2C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 8/20 0.46
▸ JAK3 P52333 7/20 0.46
▸ PTK2 Q05397 6/20 0.46
▸ AHR P35869 1/20 0.44
▸ PTGS2 P35354 2/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ HCRTR1 O43613 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ AKR1C3 P42330 1/20 0.42
▸ PTGS1 P23219 1/20 0.41
▸ XDH P47989 1/20 0.40
▸ SYK P43405 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL26072407 1.00 JAK2 (0.46) JAK2JAK3PTK2AHRPTGS2
SCHEMBL26071950 0.89 JAK3 (0.40) JAK2JAK3PTK2AHRPTGS2
SCHEMBL29396188 0.89 JAK3 (0.40) JAK2JAK3PTK2AHRPTGS2
SCHEMBL29395231 0.88 JAK2 (0.39) JAK2JAK3PTK2PTGS2PTGS1
SCHEMBL26072207 0.88 JAK2 (0.39) JAK2JAK3PTK2PTGS2PTGS1
SCHEMBL29395874 0.87 HRH3 (0.43) JAK2JAK3PTK2SYK
SCHEMBL26072343 0.87 HRH3 (0.43) JAK2JAK3PTK2SYK
SCHEMBL29395854 0.87 MAP4K1 (0.37) JAK2JAK3PTK2PTGS2AKR1C3
SCHEMBL26072710 0.87 MAP4K1 (0.37) JAK2JAK3PTK2PTGS2AKR1C3
SCHEMBL26072672 0.87 HRH3 (0.40) JAK2JAK3PTK2PTGS2SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4200298-B1 1H-PYRROLO[3,2-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2025-05-21 — — EP claimed
CN-115867549-A 1H-pyrrolo [3,2-c ] pyridine and 1H-pyrrolo [2,3-c ] pyridine derivatives as TLR9 inhibitors for the treatment of fibrosis 百时美施贵宝公司 2023-03-28 — — CN claimed
EP-4200298-A1 1H-PYRROLO[3,2-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS Bristol-Myers Squibb Company (US) 2023-06-28 — — EP disclosed
CN-115867549-A 1H-pyrrolo [3,2-c ] pyridine and 1H-pyrrolo [2,3-c ] pyridine derivatives as TLR9 inhibitors for the treatment of fibrosis 百时美施贵宝公司 2023-03-28 — — CN disclosed
WO-2022040267-A1 1H-PYRROLO[3,2-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-02-24 — — WO disclosed
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