SCHEMBL30541652

SCHEMBL30541652

CC(C)N1CCN(c2ccc(-c3cc4c(cn3)nc(-c3ccc(S(C)(=O)=O)cc3)n4C)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.43
▸ SYK P43405 3/20 0.42
▸ GPR119 Q8TDV5 5/20 0.41
▸ MAP4K1 Q92918 2/20 0.40
▸ FYN P06241 2/20 0.39
▸ MET P08581 1/20 0.39
▸ OGA O60502 1/20 0.38
▸ PTGS2 P35354 2/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38

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
SCHEMBL25363220 1.00 HRH3 (0.43) HRH3SYKGPR119MAP4K1FYN
SCHEMBL25366291 0.90 GPR119 (0.39) HRH3SYKGPR119MAP4K1PTGS2
SCHEMBL30541639 0.90 GPR119 (0.39) HRH3SYKGPR119MAP4K1PTGS2
SCHEMBL30541615 0.88 GPR119 (0.38) GPR119MAP4K1PTGS2CA12CA1
SCHEMBL25364364 0.88 GPR119 (0.38) GPR119MAP4K1PTGS2CA12CA1
SCHEMBL25364313 0.84 HRH3 (0.43) HRH3SYKMAP4K1OGAPTGS2
SCHEMBL30541610 0.84 HRH3 (0.43) HRH3SYKMAP4K1OGAPTGS2
SCHEMBL26072733 0.84 FYN (0.44) HRH3SYKGPR119MAP4K1FYN
SCHEMBL25363887 0.83 MAP4K1 (0.52) HRH3SYKGPR119MAP4K1FYN
SCHEMBL25367392 0.83 GPR119 (0.42) GPR119MAP4K1PTGS2CA12CA1

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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