SCHEMBL13634879

SCHEMBL13634879

CC1(C)COCCN1Cc1ccc(NC(=O)c2csc(N3CCOCC3)n2)c(C(=O)NC2CCOCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.46
PIM1 P11309 2/20 0.43
DNM1L O00429 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
OPRK1 P41145 1/20 0.40
KMT2A Q03164 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
SCHEMBL13634605 0.92 PIM1 (0.40) IRAK4PIM1DNM1LJAK2JAK1
SCHEMBL13634743 0.91 PIM1 (0.39) IRAK4PIM1DNM1LJAK2JAK1
SCHEMBL13162700 0.91 IRAK4 (0.44) IRAK4PIM1DNM1LOPRK1KMT2A
SCHEMBL13634937 0.89 IRAK4 (0.50) IRAK4OPRK1KMT2A
SCHEMBL13634718 0.89 IRAK4 (0.47) IRAK4OPRK1KMT2A
SCHEMBL13634756 0.88 IRAK4 (0.38) IRAK4PIM1JAK2JAK1OPRK1
SCHEMBL13634786 0.88 IRAK4 (0.49) IRAK4OPRK1KMT2A
SCHEMBL13638768 0.87 IRAK4 (0.46) IRAK4OPRK1KMT2A
SCHEMBL13270449 0.87 IRAK4 (0.36) IRAK4PIM1DNM1LJAK2JAK1
SCHEMBL13634892 0.87 IRAK4 (0.36) IRAK4PIM1DNM1LJAK2JAK1

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