SCHEMBL29395846

SCHEMBL29395846

Cc1nc(Cl)cc2c1cc(-c1ccc(S(C)(=O)=O)cc1)n2C

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 18/20 0.41
▸ PTGS1 P23219 7/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ IDO1 P14902 1/20 0.41

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
SCHEMBL26072684 1.00 PTGS2 (0.41) PTGS2PTGS1HSD11B1IDO1
SCHEMBL26072918 0.88 PTGS2 (0.42) PTGS2PTGS1HSD11B1IDO1
SCHEMBL26072738 0.84 KCNH2 (0.34) PTGS2
SCHEMBL26072702 0.84 PTGS2 (0.40) PTGS2PTGS1HSD11B1IDO1
SCHEMBL26072089 0.83 PTGS2 (0.40) PTGS2PTGS1IDO1
SCHEMBL26072059 0.83 KDM5A (0.39) PTGS2PTGS1HSD11B1IDO1
SCHEMBL26072604 0.83 PTGS2 (0.39) PTGS2PTGS1HSD11B1IDO1
SCHEMBL26072721 0.82 PTGS2 (0.47) PTGS2PTGS1IDO1
SCHEMBL26072708 0.82 PTGS2 (0.38) PTGS2PTGS1HSD11B1IDO1
SCHEMBL26072322 0.81 KDM4E (0.41) PTGS2PTGS1HSD11B1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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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