SCHEMBL4789877

SCHEMBL4789877

NC(=O)c1nc2ccnn2cc1-c1ccsc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.47
IRAK4 Q9NWZ3 1/20 0.40
PIK3CA P42336 1/20 0.39
PIK3CG P48736 1/20 0.39
CHEK2 O96017 3/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDR P35968 3/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
CHEK1 O14757 1/20 0.35
IKBKE Q14164 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
TDO2 P48775 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL2978671 0.77 KDR (0.40) PIK3CAPIK3CGKDRFLT1FLT4
SCHEMBL2974547 0.72 KDR (0.34) PIK3CAPIK3CGMAPTMEN1RAB9A
SCHEMBL4789878 0.64 IKBKB (0.41) IKBKBIRAK4CHEK2MEN1KMT2A
SCHEMBL4481912 0.64 BCAT2 (0.61) IKBKBCHEK2MAPTRAB9ACHEK1
Hydrochloric Acid SCHEMBL27721971 0.62 BCAT2 (0.59) IKBKBCHEK2MAPTRAB9ACHEK1
SCHEMBL27955118 0.62 IKBKB (0.51) IKBKBIRAK4CHEK2MAPTFLT4
SCHEMBL252954 0.62 IKBKB (0.39) IKBKBIRAK4CHEK2MAPTKDR
SCHEMBL3125643 0.61 IKBKB (0.55) IKBKBJAK2PIM1
SCHEMBL2066159 0.60 RBP4 (0.44) MAPTKDRALDH1A1AURKAJAK2
SCHEMBL16837093 0.60 PIM1 (0.46) IRAK4PIK3CAMAPTKDRALDH1A1

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
EP-1945220-A1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS CANNABINOID RECEPTOR ANTAGONISTS Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-23 EP disclosed
WO-2007046548-A1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS CANNABINOID RECEPTOR ANTAGONISTS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-04-26 WO disclosed