SCHEMBL13634659

SCHEMBL13634659

CO[C@H]1CCN(c2nc(C(=O)Nc3ccc(CN4CCN(C)C[C@@H]4C)cc3C(=O)NCCCF)cs2)C1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.35
SCD5 Q86SK9 2/20 0.35
NAPEPLD Q6IQ20 1/20 0.34
CNR2 P34972 1/20 0.34
NAMPT P43490 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
PIM1 P11309 4/20 0.32
PIM3 Q86V86 3/20 0.32
PIM2 Q9P1W9 3/20 0.32
PIN1 Q13526 3/20 0.32
MAP3K7 O43318 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
RAB9A P51151 1/20 0.31
S1PR1 P21453 1/20 0.31
FGFR1 P11362 1/20 0.31

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
SCHEMBL13634669 0.93 GLS (0.35) SCDSCD5NAPEPLDNAMPTIRAK4
SCHEMBL13634768 0.93 GLS (0.35) SCDSCD5NAPEPLDNAMPTIRAK4
SCHEMBL13270441 0.93 NAPEPLD (0.35) SCDSCD5NAPEPLDIRAK4PIN1
SCHEMBL13162738 0.93 NAPEPLD (0.35) SCDSCD5NAPEPLDIRAK4PIN1
SCHEMBL13634897 0.93 SCD (0.36) SCDSCD5CNR2PIM1PIM3
SCHEMBL13164119 0.93 NAPEPLD (0.35) SCDSCD5NAPEPLDIRAK4PIN1
SCHEMBL13634847 0.90 IRAK4 (0.37) SCDSCD5IRAK4
SCHEMBL13634846 0.90 IRAK4 (0.37) SCDSCD5IRAK4
SCHEMBL13634732 0.90 CHEK1 (0.35) SCDSCD5NAMPTIRAK4
SCHEMBL13634691 0.89 ACKR3 (0.38) SCDSCD5CNR2IRAK4HRH3

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