SCHEMBL25367243

SCHEMBL25367243

CC(C)N1CCN(c2ccc(-c3cnc4nc(-c5ccc(S(C)(=O)=O)cc5)n(C5CC5)c4c3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 1/20 0.47
▸ TRPV4 Q9HBA0 2/20 0.41
▸ OGA O60502 1/20 0.41
▸ GPR119 Q8TDV5 11/20 0.41
▸ FYN P06241 1/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ ACVR1 Q04771 1/20 0.37

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
SCHEMBL30557399 1.00 MAP4K1 (0.47) MAP4K1TRPV4OGAGPR119FYN
SCHEMBL25363887 0.87 MAP4K1 (0.52) MAP4K1OGAGPR119FYNJAK2
SCHEMBL30899925 0.84 TRPV4 (0.41) MAP4K1TRPV4OGAGPR119FYN
SCHEMBL30557554 0.83 FYN (0.49) MAP4K1FYNACVR1
SCHEMBL25364791 0.83 FYN (0.49) MAP4K1FYNACVR1
SCHEMBL25365448 0.78 HRH3 (0.43) TRPV4OGAGPR119JAK2JAK1
SCHEMBL25363259 0.76 GPR119 (0.41) TRPV4GPR119JAK2JAK1TYK2
SCHEMBL30360601 0.76 MAP4K1 (0.47) MAP4K1OGAGPR119FYNJAK2
SCHEMBL26516557 0.76 MAP4K1 (0.47) MAP4K1OGAGPR119FYNJAK2
SCHEMBL25362526 0.74 GPR119 (0.44) TRPV4GPR119JAK2JAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023159154-A1 SUBSTITUTED IMIDAZOPYRIDINYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-24 — — WO disclosed
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