SCHEMBL30541646

SCHEMBL30541646

Cc1nc(-c2ccc(N3CC4(CCN(C(C)C)CC4)C3)cc2)cc2c1nc(-c1ccc(S(C)(=O)=O)cc1)n2C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 16/20 0.38
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PTGS1 P23219 4/20 0.35
▸ HIF1A Q16665 2/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 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
SCHEMBL25364262 1.00 PTGS2 (0.38) PTGS2CYP2C9CYP2C19MEN1USP2
SCHEMBL25365280 0.93 PTGS2 (0.36) PTGS2CYP2C9CYP2C19MEN1USP2
SCHEMBL30541568 0.93 PTGS2 (0.36) PTGS2CYP2C9CYP2C19MEN1USP2
SCHEMBL30541586 0.93 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL25365541 0.93 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL25364313 0.90 HRH3 (0.43) PTGS2PTGS1HRH3
SCHEMBL30541610 0.90 HRH3 (0.43) PTGS2PTGS1HRH3
SCHEMBL25367480 0.89 KCNJ1 (0.38) PTGS2CYP2C9CYP2C19MEN1USP2
SCHEMBL30541598 0.89 KCNJ1 (0.38) PTGS2CYP2C9CYP2C19MEN1USP2
SCHEMBL25365337 0.85 PTGS2 (0.40) PTGS2PTGS1

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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