SCHEMBL17320233

SCHEMBL17320233

CNC(=O)COc1cccc(Nc2nc(N[C@H]3[C@@H]4C=CC(C4)[C@H]3C(N)=O)c3nc[nH]c3n2)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 14/20 0.51
SYK P43405 4/20 0.47
MAP3K7 O43318 3/20 0.47
MET P08581 1/20 0.47
ALK Q9UM73 1/20 0.47
KDR P35968 1/20 0.46
AURKB Q96GD4 1/20 0.46

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
SCHEMBL12112087 1.00 IRAK4 (0.51) IRAK4SYKMAP3K7METALK
SCHEMBL10171291 1.00 IRAK4 (0.51) IRAK4SYKMAP3K7METALK
SCHEMBL10171215 1.00 IRAK4 (0.51) IRAK4SYKMAP3K7METALK
SCHEMBL10171952 1.00 IRAK4 (0.51) IRAK4SYKMAP3K7METALK
SCHEMBL10171964 0.91 IRAK4 (0.54) IRAK4MAP3K7KDRAURKB
SCHEMBL10171242 0.89 IRAK4 (0.55) IRAK4MAP3K7ALKKDRAURKB
SCHEMBL10171455 0.88 IRAK4 (0.64) IRAK4SYKMAP3K7METALK
SCHEMBL10171448 0.88 IRAK4 (0.54) IRAK4MAP3K7
SCHEMBL10171260 0.86 IRAK4 (0.51) IRAK4MAP3K7
SCHEMBL10171471 0.85 IRAK4 (0.53) IRAK4MAP3K7KDRAURKB

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
EP-1960372-B1 KINASE INHIBITORS AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2015-12-09 EP disclosed