SCHEMBL13493633

SCHEMBL13493633

Cc1cc2cc(-c3c(Cl)nc(NCC4CCCCC4)nc3N[C@@H]3C[C@H](CO)[C@@H](C)[C@H]3C)oc2c(C)n1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 5/20 0.37
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ VCP P55072 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
SCHEMBL12058343 0.94 IRAK4 (0.40) IRAK4KDM4EVCP
SCHEMBL12038205 0.91 IRAK4 (0.47) IRAK4
SCHEMBL13493420 0.87 IRAK4 (0.31) IRAK4
SCHEMBL12058185 0.85 VCP (0.34) IRAK4KDM4EMAPK1VCP
SCHEMBL12038203 0.84 IRAK4 (0.47) IRAK4
SCHEMBL12038207 0.84 IRAK4 (0.51) IRAK4
SCHEMBL13493573 0.82 IRAK4 (0.36) IRAK4KDM4EMAPK1VCP
SCHEMBL12038198 0.80 IRAK4 (0.43) IRAK4
SCHEMBL12038597 0.80 IRAK4 (0.53) IRAK4
SCHEMBL12057848 0.79 IRAK4 (0.34) IRAK4KDM4EMAPK1VCP

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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