SCHEMBL13501067

SCHEMBL13501067

CCC(C)NC(=O)Nc1ccn2ncc(-c3cccc(Cl)c3)c2n1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 12/20 0.54
PIM2 Q9P1W9 9/20 0.54
FLT3 P36888 1/20 0.52
CYBB P04839 2/20 0.49
SLC2A1 P11166 1/20 0.47
RET P07949 2/20 0.47
TGFBR2 P37173 1/20 0.45
PIK3CG P48736 1/20 0.43
FYN P06241 1/20 0.43

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
SCHEMBL13501068 0.86 PIM1 (0.54) PIM1PIM2FLT3CYBBSLC2A1
SCHEMBL13500712 0.85 CYBB (0.57) PIM1PIM2FLT3CYBBSLC2A1
SCHEMBL103007 0.79 PIM1 (0.61) PIM1PIM2FLT3CYBBTGFBR2
SCHEMBL13501065 0.77 PIM1 (0.59) PIM1PIM2FLT3CYBBSLC2A1
SCHEMBL13500714 0.75 CYBB (0.51) PIM1PIM2FLT3CYBBSLC2A1
SCHEMBL22421502 0.75 PIM1 (0.61) PIM1PIM2FLT3TGFBR2
SCHEMBL14302002 0.75 CCR4 (0.53) PIM1PIM2FLT3TGFBR2
SCHEMBL3563380 0.74 CYBB (0.59) PIM1PIM2FLT3CYBBSLC2A1
SCHEMBL4340651 0.74 RET (0.64) PIM1PIM2FLT3SLC2A1RET
SCHEMBL13500722 0.74 CYBB (0.59) PIM1PIM2FLT3CYBBSLC2A1

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-7662826-B2 Pyrazolo [1,5-a] pyrimidine derivative and nad (p) h oxidase inhibitor containing the same SHIONOGI & CO., LTD. (JP) 2010-02-16 US disclosed
US-7662826-B2 Pyrazolo [1,5-a] pyrimidine derivative and nad (p) h oxidase inhibitor containing the same SHIONOGI & CO., LTD. (JP) 2010-02-16 US disclosed