SCHEMBL29396188

SCHEMBL29396188

Cc1nc(-c2ccc(N3CCN(C4CCOCC4)CC3)cc2)cc2c1cc(-c1ccc(S(C)(=O)=O)cc1)n2C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 8/20 0.40
▸ PTK2 Q05397 7/20 0.40
▸ PTGS2 P35354 3/20 0.39
▸ JAK2 O60674 7/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ AKR1C3 P42330 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ CYP11B2 P19099 1/20 0.36
▸ KDM2B Q8NHM5 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ SYK P43405 1/20 0.36
▸ MAP4K1 Q92918 1/20 0.35
▸ GPR119 Q8TDV5 2/20 0.35
▸ AHR P35869 1/20 0.35

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
SCHEMBL26071950 1.00 JAK3 (0.40) JAK3PTK2PTGS2JAK2CYP3A4
SCHEMBL26072710 0.96 MAP4K1 (0.37) JAK3PTK2PTGS2JAK2CYP3A4
SCHEMBL29395854 0.96 MAP4K1 (0.37) JAK3PTK2PTGS2JAK2CYP3A4
SCHEMBL26072672 0.95 HRH3 (0.40) JAK3PTK2PTGS2JAK2HRH3
SCHEMBL26072759 0.89 PTGS2 (0.36) JAK3PTK2PTGS2JAK2CYP3A4
SCHEMBL26072407 0.89 JAK2 (0.46) JAK3PTK2PTGS2JAK2AKR1C3
SCHEMBL29396361 0.89 JAK2 (0.46) JAK3PTK2PTGS2JAK2AKR1C3
SCHEMBL29395776 0.89 PTGS2 (0.36) PTGS2PTGS1CYP11B2KDM2BSYK
SCHEMBL26072157 0.89 PTGS2 (0.36) PTGS2PTGS1CYP11B2KDM2BSYK
SCHEMBL26072005 0.87 HRH3 (0.48) JAK3PTK2PTGS2JAK2HRH3

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
Send feedback