SCHEMBL13634756

SCHEMBL13634756

CO[C@H]1CCN(c2nc(C(=O)Nc3ccc(CN4CCOCC4(C)C)cc3C(=O)NC3CC3)cs2)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
PDE4B Q07343 2/20 0.38
MCHR1 Q99705 1/20 0.36
TYK2 P29597 1/20 0.36
PIM1 P11309 1/20 0.35
KMT2A Q03164 2/20 0.35
SCD O00767 2/20 0.35
SCD5 Q86SK9 2/20 0.35
GRM2 Q14416 1/20 0.35
ACKR3 P25106 1/20 0.34
OPRK1 P41145 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
SCHEMBL13634632 0.97 IRAK4 (0.37) IRAK4JAK2JAK1PDE4BMCHR1
SCHEMBL13634743 0.97 PIM1 (0.39) IRAK4JAK2JAK1PDE4BMCHR1
SCHEMBL13270449 0.95 IRAK4 (0.36) IRAK4JAK2JAK1PDE4BMCHR1
SCHEMBL13634892 0.95 IRAK4 (0.36) IRAK4JAK2JAK1PDE4BMCHR1
SCHEMBL13634605 0.93 PIM1 (0.40) IRAK4JAK2JAK1PDE4BMCHR1
SCHEMBL13634842 0.93 IRAK4 (0.39) IRAK4JAK2JAK1KMT2ASCD
SCHEMBL13634904 0.92 IRAK4 (0.39) IRAK4JAK2JAK1KMT2ASCD
SCHEMBL2769203 0.92 IRAK4 (0.39) IRAK4JAK2JAK1KMT2ASCD
SCHEMBL2771848 0.92 IRAK4 (0.37) IRAK4JAK2JAK1KMT2ASCD
SCHEMBL13634556 0.92 IRAK4 (0.37) IRAK4JAK2JAK1KMT2ASCD

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