SCHEMBL13634622

SCHEMBL13634622

O=C(Nc1ccncc1C(=O)NC1CCOCC1)c1coc(N2CC[C@@H](Oc3ncccn3)[C@@H](F)C2)n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.48
TGFBR1 P36897 3/20 0.38
IRAK4 Q9NWZ3 7/20 0.37
SMO Q99835 1/20 0.35
NAMPT P43490 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PIM3 Q86V86 2/20 0.34
PIM2 Q9P1W9 2/20 0.34
GPR6 P46095 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL13634623 0.96 PIM1 (0.44) PIM1TGFBR1IRAK4SMONAMPT
SCHEMBL13634544 0.92 MEN1 (0.40) PIM1IRAK4MEN1KMT2AGPR6
SCHEMBL13634625 0.92 MEN1 (0.40) PIM1IRAK4MEN1KMT2AGPR6
SCHEMBL13634837 0.92 PIM1 (0.40) PIM1TGFBR1IRAK4SMONAMPT
SCHEMBL13634770 0.89 PIM1 (0.36) PIM1IRAK4PIM3PIM2GPR6
SCHEMBL13634631 0.88 GPR6 (0.40) PIM1IRAK4SMONAMPTMEN1
SCHEMBL13634630 0.88 GPR6 (0.40) PIM1IRAK4SMONAMPTMEN1
SCHEMBL13634505 0.87 PIM1 (0.35) PIM1TGFBR1IRAK4PIM3PIM2
SCHEMBL13634504 0.87 PIM1 (0.37) PIM1IRAK4PIM3PIM2GPR6
SCHEMBL13634796 0.87 GPR6 (0.37) PIM1TGFBR1IRAK4NAMPTPIM3

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