SCHEMBL12454472

SCHEMBL12454472

Cc1nc(NCC(C)(C)c2ccc(F)cc2)nc(NC2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2cnccc2s1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.58

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
SCHEMBL15982843 1.00 IRAK4 (0.58) IRAK4
SCHEMBL15982755 0.94 IRAK4 (0.58) IRAK4
SCHEMBL15982756 0.92 IRAK4 (0.58) IRAK4
SCHEMBL12038370 0.89 IRAK4 (0.65) IRAK4
SCHEMBL15982950 0.89 IRAK4 (0.58) IRAK4
SCHEMBL12038364 0.89 IRAK4 (0.64) IRAK4
SCHEMBL12038808 0.88 IRAK4 (0.63) IRAK4
SCHEMBL12038480 0.87 IRAK4 (0.71) IRAK4
SCHEMBL12037114 0.85 IRAK4 (0.60) IRAK4
SCHEMBL12038782 0.85 IRAK4 (0.61) 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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