SCHEMBL13634605

SCHEMBL13634605

COC1CN(c2nc(C(=O)Nc3ccc(CN4CCOCC4(C)C)cc3C(=O)NC3CCOCC3)cs2)C1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.40
IRAK4 Q9NWZ3 3/20 0.40
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
PDE4B Q07343 1/20 0.38
DNM1L O00429 1/20 0.37
MCHR1 Q99705 1/20 0.36
KMT2A Q03164 2/20 0.36
OPRK1 P41145 1/20 0.36

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
SCHEMBL13634743 0.96 PIM1 (0.39) PIM1IRAK4JAK2JAK1PDE4B
SCHEMBL13634756 0.93 IRAK4 (0.38) PIM1IRAK4JAK2JAK1PDE4B
SCHEMBL13634879 0.92 IRAK4 (0.46) PIM1IRAK4JAK2JAK1DNM1L
SCHEMBL13634892 0.92 IRAK4 (0.36) PIM1IRAK4JAK2JAK1PDE4B
SCHEMBL13270449 0.92 IRAK4 (0.36) PIM1IRAK4JAK2JAK1PDE4B
SCHEMBL13634632 0.92 IRAK4 (0.37) PIM1IRAK4JAK2JAK1PDE4B
SCHEMBL13270637 0.90 DNM1L (0.35) PIM1IRAK4JAK2JAK1PDE4B
SCHEMBL13634851 0.90 PDE4B (0.44) PIM1PDE4BDNM1LMCHR1KMT2A
SCHEMBL13634936 0.90 IRAK4 (0.41) IRAK4JAK2JAK1KMT2AOPRK1
SCHEMBL13270719 0.90 IRAK4 (0.41) IRAK4JAK2JAK1KMT2AOPRK1

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