SCHEMBL30541577

SCHEMBL30541577

Cc1nc(-c2ccc(N3CCN(CC(C)C)CC3)cc2)cc2c1nc(-c1ccc(S(C)(=O)=O)cc1)n2C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 1/20 0.39
▸ JAK2 O60674 5/20 0.38
▸ JAK3 P52333 5/20 0.38
▸ PTK2 Q05397 5/20 0.38
▸ PTGS2 P35354 9/20 0.37
▸ MAP4K1 Q92918 1/20 0.37
▸ JAK1 P23458 1/20 0.35
▸ PTGS1 P23219 2/20 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

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
SCHEMBL25365387 1.00 GPR119 (0.39) GPR119JAK2JAK3PTK2PTGS2
SCHEMBL25366514 0.91 CYP2D6 (0.39) GPR119JAK2JAK3PTK2PTGS2
SCHEMBL30541651 0.91 CYP2D6 (0.39) GPR119JAK2JAK3PTK2PTGS2
SCHEMBL30541598 0.91 KCNJ1 (0.38) GPR119PTGS2
SCHEMBL25367480 0.91 KCNJ1 (0.38) GPR119PTGS2
SCHEMBL25364869 0.89 GPR119 (0.39) GPR119PTGS2PTGS1
SCHEMBL30541589 0.89 GPR119 (0.39) GPR119PTGS2PTGS1
SCHEMBL25368481 0.89 PTGS2 (0.38) GPR119PTGS2PTGS1
SCHEMBL30541620 0.89 PTGS2 (0.38) GPR119PTGS2PTGS1
SCHEMBL25364313 0.88 HRH3 (0.43) JAK2JAK3PTK2PTGS2MAP4K1

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-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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