SCHEMBL13493546

SCHEMBL13493546

CCCCCNc1nc(Cl)c(-c2cc3cc(C)nc(C)c3o2)c(N[C@@H]2C[C@H](CO)C[C@H]2O)n1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 2/20 0.33
▸ DNM2 P50570 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ TYRO3 Q06418 1/20 0.31
▸ MERTK Q12866 1/20 0.31
▸ GAS6 Q14393 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
SCHEMBL12058277 0.92 IRAK4 (0.34) IRAK4
SCHEMBL12038189 0.88 IRAK4 (0.46) IRAK4
SCHEMBL12057797 0.86 MERTK (0.34) FLT3TYRO3MERTKGAS6
SCHEMBL12058390 0.84 IRAK4 (0.38) IRAK4
SCHEMBL12058523 0.83 — —
SCHEMBL12038191 0.81 IRAK4 (0.50) IRAK4
SCHEMBL12057775 0.81 IRAK4 (0.36) IRAK4FLT3TYRO3MERTKGAS6
SCHEMBL12038175 0.80 IRAK4 (0.46) IRAK4
SCHEMBL12038198 0.79 IRAK4 (0.43) IRAK4
SCHEMBL13493734 0.79 IRAK4 (0.33) IRAK4FLT3TYRO3MERTKGAS6

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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