SCHEMBL30541610

SCHEMBL30541610

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.43
▸ SYK P43405 5/20 0.41
▸ PTGS2 P35354 8/20 0.39
▸ ALK Q9UM73 2/20 0.38
▸ OGA O60502 1/20 0.37
▸ MAP4K1 Q92918 1/20 0.36
▸ PTGS1 P23219 3/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ PTK2 Q05397 1/20 0.36

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
SCHEMBL25364313 1.00 HRH3 (0.43) HRH3SYKPTGS2ALKOGA
SCHEMBL30541646 0.90 PTGS2 (0.38) HRH3PTGS2PTGS1
SCHEMBL30541568 0.90 PTGS2 (0.36) HRH3SYKPTGS2MAP4K1PTGS1
SCHEMBL25365280 0.90 PTGS2 (0.36) HRH3SYKPTGS2MAP4K1PTGS1
SCHEMBL25364262 0.90 PTGS2 (0.38) HRH3PTGS2PTGS1
SCHEMBL25365541 0.88 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL30541577 0.88 GPR119 (0.39) PTGS2MAP4K1PTGS1JAK2JAK3
SCHEMBL25365048 0.88 PTGS2 (0.37) SYKPTGS2PTGS1
SCHEMBL25365387 0.88 GPR119 (0.39) PTGS2MAP4K1PTGS1JAK2JAK3
SCHEMBL30541569 0.88 PTGS2 (0.37) SYKPTGS2PTGS1

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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