SCHEMBL30541586

SCHEMBL30541586

Cc1nc(-c2ccc(N3CC4(C3)CN(C(C)C)C4)cc2)cc2c1nc(-c1ccc(S(C)(=O)=O)cc1)n2C

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 20/20 0.39
▸ PTGS1 P23219 5/20 0.36

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
SCHEMBL25365541 1.00 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL30541646 0.93 PTGS2 (0.38) PTGS2PTGS1
SCHEMBL30541568 0.93 PTGS2 (0.36) PTGS2PTGS1
SCHEMBL25365280 0.93 PTGS2 (0.36) PTGS2PTGS1
SCHEMBL25364262 0.93 PTGS2 (0.38) PTGS2PTGS1
SCHEMBL25368481 0.89 PTGS2 (0.38) PTGS2PTGS1
SCHEMBL30541620 0.89 PTGS2 (0.38) PTGS2PTGS1
SCHEMBL25364313 0.88 HRH3 (0.43) PTGS2PTGS1
SCHEMBL30541610 0.88 HRH3 (0.43) PTGS2PTGS1
SCHEMBL25365337 0.87 PTGS2 (0.40) PTGS2PTGS1

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-4479407-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 Bristol-Myers Squibb Company (US) 2024-12-25 — — EP claimed
WO-2023159153-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-24 — — WO claimed
EP-4479407-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 Bristol-Myers Squibb Company (US) 2024-12-25 — — EP disclosed
WO-2023159153-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-24 — — WO disclosed
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