SCHEMBL13493553

SCHEMBL13493553

C[C@H]1C[C@H](Nc2nc(N)nc(Cl)c2-c2ccc(C=O)o2)C[C@@H]1CO

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 7/20 0.40
▸ FLT3 P36888 1/20 0.35
▸ TYRO3 Q06418 1/20 0.35
▸ MERTK Q12866 1/20 0.35
▸ GAS6 Q14393 1/20 0.35

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
SCHEMBL12058071 0.83 FLT3 (0.38) IRAK4FLT3TYRO3MERTKGAS6
SCHEMBL12037650 0.82 IRAK4 (0.59) IRAK4
SCHEMBL13493704 0.77 IRAK4 (0.36) IRAK4
SCHEMBL12058354 0.76 IRAK4 (0.37) IRAK4
SCHEMBL12058119 0.75 IRAK4 (0.35) IRAK4
SCHEMBL13493532 0.71 IRAK4 (0.42) IRAK4
SCHEMBL12058252 0.71 IRAK4 (0.36) IRAK4
SCHEMBL13493549 0.69 IRAK4 (0.48) IRAK4
SCHEMBL13493555 0.67 IRAK4 (0.45) IRAK4
SCHEMBL13493415 0.66 IRAK4 (0.58) 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-2010022121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-02-25 — — WO disclosed
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