SCHEMBL5375404

SCHEMBL5375404

COc1ccc(C(F)(F)F)cc1N(C(N)=O)c1ccc(-c2ccnc3[nH]nc(N)c23)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.43
KDR P35968 6/20 0.39
FYN P06241 5/20 0.39
KIT P10721 4/20 0.39
FLT3 P36888 4/20 0.39
CSF1R P07333 3/20 0.39
FLT1 P17948 3/20 0.39
ABL1 P00519 2/20 0.39
LCK P06239 1/20 0.39
LYN P07948 1/20 0.39
SRC P12931 1/20 0.39
FLT4 P35916 1/20 0.39
BLK P51451 1/20 0.39
CYP3A4 P08684 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
BCR P11274 1/20 0.36
PDGFRA P16234 1/20 0.36
PDGFRB P09619 1/20 0.36
TEK Q02763 1/20 0.36
GPBAR1 Q8TDU6 2/20 0.36

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
SCHEMBL2239007 0.78 KDR (0.48) KDRFYNKITFLT3CSF1R
SCHEMBL2237544 0.76 KDR (0.60) KDRFYNKITFLT3CSF1R
SCHEMBL1703608 0.74 KDR (0.50) KDRFYNKITFLT3CSF1R
SCHEMBL2236724 0.69 KDR (0.58) KDRFYNKITFLT3CSF1R
SCHEMBL2239754 0.68 KDR (0.62) KDRFYNKITFLT3CSF1R
SCHEMBL2235613 0.68 KDR (0.49) KDRFYNKITFLT3CSF1R
SCHEMBL2239715 0.68 KDR (0.51) KDRFYNKITFLT3CSF1R
SCHEMBL12346395 0.67 KDR (0.63) KDRFYNKITFLT3CSF1R
SCHEMBL5418769 0.67 KDR (0.48) KDRFYNKITFLT3CSF1R
SCHEMBL14294640 0.67 KDR (0.65) KDRFYNKITFLT3CSF1R

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-1845978-A1 SUBSTITUTED PYRAZOLO-PYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE Aventis Pharma S.A. (FR) 2007-10-24 EP claimed
WO-2006077319-A1 SUBSTITUTED PYRAZOLO-PYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AVENTIS PHARMA S.A. (FR) 2006-07-27 WO claimed