SCHEMBL12452786

SCHEMBL12452786

CO[C@H]1C[C@@H]([C@@H](C)Nc2nc(C)c(-c3nc4c(C5CC5)nccc4s3)c(N[C@H]3CC[C@@H](CO)C3)n2)C1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 17/20 0.36
▸ DYRK1A Q13627 1/20 0.30

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
SCHEMBL12453239 0.93 IRAK4 (0.38) IRAK4DYRK1A
SCHEMBL12453235 0.92 IRAK4 (0.40) IRAK4
SCHEMBL12452792 0.89 IRAK4 (0.36) IRAK4
SCHEMBL12454025 0.89 IRAK4 (0.41) IRAK4
SCHEMBL15983128 0.86 IRAK4 (0.49) IRAK4
SCHEMBL15983132 0.86 IRAK4 (0.49) IRAK4
SCHEMBL12057876 0.85 IRAK4 (0.47) IRAK4
SCHEMBL12057722 0.82 IRAK4 (0.38) IRAK4
SCHEMBL12454032 0.82 IRAK4 (0.42) IRAK4
SCHEMBL12454030 0.82 IRAK4 (0.40) IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011103441-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2011-08-25 — — WO disclosed
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