SCHEMBL13634650

SCHEMBL13634650

COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.50
OPRK1 P41145 1/20 0.43
KMT2A Q03164 1/20 0.43
IRAK1 P51617 1/20 0.42
LMNA P02545 1/20 0.41
PTK2 Q05397 1/20 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
SCHEMBL13634783 0.92 IRAK4 (0.48) IRAK4OPRK1KMT2A
SCHEMBL13638885 0.90 IRAK4 (0.47) IRAK4OPRK1KMT2AIRAK1
SCHEMBL13634800 0.89 IRAK4 (0.46) IRAK4OPRK1KMT2AIRAK1
SCHEMBL13634602 0.89 IDH1 (0.40) IRAK4OPRK1KMT2ALMNA
SCHEMBL2772028 0.88 OPRK1 (0.42) IRAK4OPRK1KMT2A
SCHEMBL13638992 0.88 IRAK4 (0.39) IRAK4OPRK1KMT2ALMNA
SCHEMBL13634716 0.85 HRH3 (0.40) IRAK4OPRK1KMT2ALMNA
SCHEMBL13634681 0.85 HRH3 (0.38) IRAK4OPRK1KMT2A
SCHEMBL13638904 0.84 MAP4K1 (0.39)
SCHEMBL13634541 0.84 OPRK1 (0.40) IRAK4OPRK1KMT2ALMNA

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