SCHEMBL29768038

SCHEMBL29768038

NC(=O)c1cnn2ccc(N3CCC4(COC4)C3)nc12

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 13/20 0.50
▸ JAK2 O60674 6/20 0.46
▸ NTRK1 P04629 6/20 0.46
▸ SMPD3 Q9NY59 1/20 0.43

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
SCHEMBL25339224 0.91 IRAK4 (0.51) IRAK4SMPD3
SCHEMBL29768022 0.91 IRAK4 (0.48) IRAK4JAK2NTRK1SMPD3
SCHEMBL26765594 0.89 IRAK4 (0.49) IRAK4SMPD3
SCHEMBL29768175 0.87 IRAK4 (0.50) IRAK4JAK2NTRK1SMPD3
SCHEMBL25337834 0.84 IRAK4 (0.48) IRAK4SMPD3
SCHEMBL25340916 0.84 IRAK4 (0.49) IRAK4SMPD3
SCHEMBL25339558 0.84 IRAK4 (0.49) IRAK4SMPD3
SCHEMBL25338128 0.84 IRAK4 (0.49) IRAK4SMPD3
SCHEMBL25340195 0.84 IRAK4 (0.45) IRAK4
SCHEMBL26765583 0.82 IRAK4 (0.49) IRAK4SMPD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116648248-B Aromatic compound, pharmaceutical composition containing same and application thereof 成都茵创园医药科技有限公司 2025-04-15 — — CN disclosed
CN-116648248-A Aromatic compound, pharmaceutical composition containing same and application thereof 成都茵创园医药科技有限公司 2023-08-25 — — CN disclosed
WO-2022161414-A1 AROMATIC COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND APPLICATION THEREOF 成都茵创园医药科技有限公司 2022-08-04 — — WO disclosed
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