SCHEMBL12454030

SCHEMBL12454030

CCO[C@H]1C[C@@H](CNc2nc(C)c(-c3nc4c(C5CC5)nccc4s3)c(N[C@H]3CC[C@@H](CO)C3)n2)C1

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.40

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
SCHEMBL12454025 0.92 IRAK4 (0.41) IRAK4
SCHEMBL12454032 0.90 IRAK4 (0.42) IRAK4
SCHEMBL12454031 0.89 IRAK4 (0.42) IRAK4
SCHEMBL12452787 0.88 IRAK4 (0.41) IRAK4
SCHEMBL15983126 0.88 IRAK4 (0.56) IRAK4
SCHEMBL15983123 0.88 IRAK4 (0.56) IRAK4
SCHEMBL12057876 0.87 IRAK4 (0.47) IRAK4
SCHEMBL12454034 0.87 IRAK4 (0.41) IRAK4
SCHEMBL12058450 0.83 IRAK4 (0.46) IRAK4
SCHEMBL12058459 0.82 IRAK4 (0.47) 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
Send feedback