SCHEMBL13638947

SCHEMBL13638947

COCCN(C)Cc1ccc(NC(=O)c2coc(N3CCC(O)CC3)n2)c(C(=O)NC2CCOCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 9/20 0.42
F10 P00742 1/20 0.39
NTRK1 P04629 1/20 0.36
PDE5A O76074 3/20 0.35
NAPEPLD Q6IQ20 1/20 0.35
FLT3 P36888 1/20 0.35
NTSR1 P30989 1/20 0.34
MCHR1 Q99705 2/20 0.34
P2RX7 Q99572 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL13634646 0.93 IRAK4 (0.43) IRAK4NTRK1NAPEPLDFLT3MCHR1
SCHEMBL13270595 0.83 IRAK4 (0.44) IRAK4F10NTRK1NAPEPLDMCHR1
SCHEMBL13634551 0.81 IRAK4 (0.47) IRAK4NAPEPLDMCHR1P2RX7
SCHEMBL13634550 0.77 IRAK4 (0.46) IRAK4F10MCHR1P2RX7
SCHEMBL13634629 0.77 GRM2 (0.40) IRAK4F10FLT3MCHR1
SCHEMBL13162423 0.76 JAK2 (0.39) IRAK4F10NTRK1NAPEPLDFLT3
SCHEMBL13162062 0.76 IRAK4 (0.43) IRAK4F10NAPEPLD
SCHEMBL13270421 0.75 IRAK4 (0.45) IRAK4FLT3MCHR1P2RX7
SCHEMBL13638812 0.74 GPR6 (0.39) IRAK4FLT3MCHR1P2RX7
SCHEMBL13638815 0.74 MCHR1 (0.43) IRAK4MCHR1

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
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed