SCHEMBL18263259

SCHEMBL18263259

CC(C)(C)OC(=O)CC(O)c1c(NC(=O)C(C)(C)C)cc(Cl)nc1Cl.CC(C)NC(C)C

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.34
▸ GAA P10253 1/20 0.31

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
SCHEMBL18260419 0.95 CYP2D6 (0.34) CYP2D6GAA
SCHEMBL5375594 0.70 KMT2A (0.34) CYP2D6GAA
SCHEMBL679504 0.70 FPR2 (0.36) CYP2D6
SCHEMBL31145987 0.67 ATR (0.37) —
SCHEMBL18260522 0.66 KDM4E (0.39) —
SCHEMBL29565434 0.66 KDM4E (0.39) —
SCHEMBL29565827 0.64 KDM4E (0.38) —
SCHEMBL16856891 0.64 KDM4E (0.38) —
SCHEMBL17980670 0.62 L3MBTL1 (0.50) CYP2D6
SCHEMBL8770893 0.62 APP (0.39) CYP2D6

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-3303348-A1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS Theravance Biopharma R&D IP, LLC (US) 2018-04-11 — — EP disclosed
WO-2016191524-A1 NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-12-01 — — WO disclosed
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