SCHEMBL13634660

SCHEMBL13634660

CO[C@H]1CCN(c2nc(C(=O)Nc3ccc(CN4CCOC[C@H]4C)cc3C(=O)NC3CCOCC3)cs2)C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.39
DNM1L O00429 1/20 0.38
PIM1 P11309 2/20 0.38
PDE4B Q07343 1/20 0.36
MCHR1 Q99705 2/20 0.36
KMT2A Q03164 2/20 0.36
SCD O00767 2/20 0.36
SCD5 Q86SK9 2/20 0.36
OPRK1 P41145 1/20 0.35

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
SCHEMBL13634561 1.00 IRAK4 (0.39) IRAK4DNM1LPIM1PDE4BMCHR1
SCHEMBL13270406 0.93 DNM1L (0.36) IRAK4DNM1LPIM1PDE4BMCHR1
SCHEMBL13638891 0.91 IRAK4 (0.38) IRAK4KMT2ASCDSCD5OPRK1
SCHEMBL13634750 0.91 IRAK4 (0.38) IRAK4KMT2ASCDSCD5OPRK1
SCHEMBL13634899 0.90 PDE4B (0.43) DNM1LPIM1PDE4BMCHR1KMT2A
SCHEMBL13634846 0.89 IRAK4 (0.37) IRAK4KMT2ASCDSCD5OPRK1
SCHEMBL13634847 0.89 IRAK4 (0.37) IRAK4KMT2ASCDSCD5OPRK1
SCHEMBL13270800 0.88 PIM1 (0.41) IRAK4DNM1LPIM1PDE4BKMT2A
SCHEMBL13164111 0.87 MCHR1 (0.38) DNM1LPIM1PDE4BMCHR1KMT2A
SCHEMBL13634743 0.87 PIM1 (0.39) IRAK4DNM1LPIM1PDE4BMCHR1

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