SCHEMBL30541639

SCHEMBL30541639

CC(C)N1CC2(CCN(c3ccc(-c4cc5c(cn4)nc(-c4ccc(S(C)(=O)=O)cc4)n5C)cc3)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 8/20 0.39
▸ PTGS2 P35354 5/20 0.36
▸ MAP4K1 Q92918 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ SYK P43405 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ ATR Q13535 1/20 0.34

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
SCHEMBL25366291 1.00 GPR119 (0.39) GPR119PTGS2MAP4K1CA12CA1
SCHEMBL25364364 0.96 GPR119 (0.38) GPR119PTGS2MAP4K1CA12CA1
SCHEMBL30541615 0.96 GPR119 (0.38) GPR119PTGS2MAP4K1CA12CA1
SCHEMBL30541652 0.90 HRH3 (0.43) GPR119PTGS2MAP4K1CA12CA1
SCHEMBL25363220 0.90 HRH3 (0.43) GPR119PTGS2MAP4K1CA12CA1
SCHEMBL25363259 0.89 GPR119 (0.41) GPR119
SCHEMBL30541576 0.89 GPR119 (0.42) GPR119PTGS2MAP4K1CA12CA1
SCHEMBL25367392 0.89 GPR119 (0.42) GPR119PTGS2MAP4K1CA12CA1
SCHEMBL25365280 0.85 PTGS2 (0.36) GPR119PTGS2MAP4K1SYKHRH3
SCHEMBL30541568 0.85 PTGS2 (0.36) GPR119PTGS2MAP4K1SYKHRH3

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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