SCHEMBL30541624

SCHEMBL30541624

COCCN1CC2(CCN(c3ccc(-c4cc5c(cn4)nc(-c4ccc(S(C)(=O)=O)cc4)n5C)cc3)CC2)C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 7/20 0.37
▸ PTGS2 P35354 6/20 0.36
▸ MCHR1 Q99705 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ PTGS1 P23219 2/20 0.34
▸ SYK P43405 2/20 0.34
▸ MAP4K1 Q92918 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33

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
SCHEMBL25366102 1.00 GPR119 (0.37) GPR119PTGS2MCHR1JAK2JAK1
SCHEMBL25367392 0.88 GPR119 (0.42) GPR119PTGS2MAP4K1CA12CA1
SCHEMBL30541576 0.88 GPR119 (0.42) GPR119PTGS2MAP4K1CA12CA1
SCHEMBL30541639 0.85 GPR119 (0.39) GPR119PTGS2SYKMAP4K1CA12
SCHEMBL25366291 0.85 GPR119 (0.39) GPR119PTGS2SYKMAP4K1CA12
SCHEMBL25364996 0.84 GPR119 (0.42) GPR119PTGS2CA12CA1CA2
SCHEMBL30541585 0.84 GPR119 (0.42) GPR119PTGS2CA12CA1CA2
SCHEMBL25364289 0.82 GPR119 (0.38) GPR119PTGS2JAK2SYKMAP4K1
SCHEMBL25364364 0.81 GPR119 (0.38) GPR119PTGS2PTGS1MAP4K1CA12
SCHEMBL30541615 0.81 GPR119 (0.38) GPR119PTGS2PTGS1MAP4K1CA12

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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