SCHEMBL13634732

SCHEMBL13634732

CO[C@H]1CCN(c2nc(C(=O)Nc3ccc(CN4CCNC[C@@H]4C)cc3C(=O)NCCCF)cs2)C1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 16/20 0.35
SCD O00767 2/20 0.35
SCD5 Q86SK9 2/20 0.35
HDAC3 O15379 1/20 0.33
HDAC2 Q92769 1/20 0.33
NAMPT P43490 1/20 0.32
JAK2 O60674 1/20 0.32
ROCK2 O75116 1/20 0.32
IGF1R P08069 1/20 0.32
MAPK1 P28482 1/20 0.32
AKT1 P31749 1/20 0.32
RPS6KA3 P51812 1/20 0.32
NEK2 P51955 1/20 0.32
STK3 Q13188 1/20 0.32
CAMK4 Q16566 1/20 0.32
TSSK2 Q96PF2 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32

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
SCHEMBL13634923 0.93 CHEK1 (0.36) CHEK1SCDSCD5HDAC3HDAC2
SCHEMBL13634574 0.93 CHEK1 (0.36) CHEK1SCDSCD5HDAC3HDAC2
SCHEMBL13270439 0.93 CHEK1 (0.36) CHEK1SCDSCD5HDAC3HDAC2
SCHEMBL13164118 0.93 CHEK1 (0.36) CHEK1SCDSCD5HDAC3HDAC2
SCHEMBL13634897 0.91 SCD (0.36) SCDSCD5
SCHEMBL13634659 0.90 SCD (0.35) SCDSCD5NAMPTIRAK4
SCHEMBL13634847 0.89 IRAK4 (0.37) SCDSCD5IRAK4
SCHEMBL13634846 0.89 IRAK4 (0.37) SCDSCD5IRAK4
SCHEMBL13638833 0.87 GRM2 (0.39) SCDSCD5
SCHEMBL13634767 0.87 SCD (0.37) CHEK1SCDSCD5NAMPT

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