SCHEMBL13634783

SCHEMBL13634783

O=C(Nc1ccc(N2CCOCC2)cc1C(=O)O)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.48
OPRK1 P41145 1/20 0.45
KMT2A Q03164 1/20 0.45
NTRK1 P04629 1/20 0.41
NTRK2 Q16620 1/20 0.41
TERT O14746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL13634650 0.92 IRAK4 (0.50) IRAK4OPRK1KMT2A
SCHEMBL13634800 0.89 IRAK4 (0.46) IRAK4OPRK1KMT2A
SCHEMBL13638885 0.88 IRAK4 (0.47) IRAK4OPRK1KMT2A
SCHEMBL2770731 0.88 OPRK1 (0.42) IRAK4OPRK1KMT2A
SCHEMBL13634782 0.87 MALT1 (0.40) IRAK4OPRK1KMT2A
SCHEMBL13634587 0.84 GPR6 (0.36) IRAK4OPRK1KMT2A
SCHEMBL13634753 0.83 OPRK1 (0.39) IRAK4OPRK1KMT2A
SCHEMBL13638779 0.82 MAP4K1 (0.39)
SCHEMBL13270411 0.82 SCD (0.36) IRAK4
SCHEMBL13634696 0.82 GPR6 (0.38) OPRK1KMT2A

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