SCHEMBL30541663

SCHEMBL30541663

Cc1nc(-c2ccc(N3CC4(C3)CN(C3CCC3)C4)cc2)cc2c1nc(-c1ccc(S(C)(=O)=O)cc1)n2C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 14/20 0.38
▸ GPR119 Q8TDV5 1/20 0.35
▸ PTGS1 P23219 4/20 0.35
▸ SYK P43405 1/20 0.35
▸ RIPK2 O43353 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ TGFBR1 P36897 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34

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
SCHEMBL25366145 1.00 PTGS2 (0.38) PTGS2GPR119PTGS1SYKRIPK2
SCHEMBL25366890 0.93 HRH3 (0.36) PTGS2GPR119PTGS1SYKRIPK2
SCHEMBL30541584 0.93 HRH3 (0.36) PTGS2GPR119PTGS1SYKRIPK2
SCHEMBL25366357 0.91 PTGS2 (0.37) PTGS2GPR119PTGS1
SCHEMBL25366282 0.89 HRH3 (0.44) PTGS2GPR119
SCHEMBL30541679 0.89 HRH3 (0.44) PTGS2GPR119
SCHEMBL25364439 0.88 PTGS2 (0.36) PTGS2GPR119PTGS1SYKRIPK2
SCHEMBL30541593 0.88 PTGS2 (0.36) PTGS2GPR119PTGS1SYKRIPK2
SCHEMBL25365541 0.86 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL25364449 0.86 JAK3 (0.43) PTGS2GPR119SYK

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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