SCHEMBL4751809

SCHEMBL4751809

C=CCOCc1cc(Nc2nccc(-c3ccnc(O)c3)n2)ccc1OCCN1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.42
BCR P11274 4/20 0.42
SYK P43405 6/20 0.41
AIMP2 Q13155 1/20 0.40
IKBKE Q14164 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.38
BRAF P15056 1/20 0.38
AXL P30530 1/20 0.37
JAK2 O60674 2/20 0.37
JAK3 P52333 2/20 0.37
IGF1R P08069 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
RET P07949 1/20 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
SCHEMBL14023511 0.91 ABL1 (0.40) ABL1BCRSYKAIMP2IKBKE
SCHEMBL4749275 0.89 ABL1 (0.39) ABL1BCRSYKAIMP2IKBKE
SCHEMBL1098407 0.89 ABL1 (0.43) ABL1BCRSYKAIMP2IKBKE
SCHEMBL1098622 0.88 ABL1 (0.40) ABL1BCRSYKAIMP2IKBKE
SCHEMBL1108273 0.88 AIMP2 (0.47) ABL1BCRSYKAIMP2JAK2
SCHEMBL14022857 0.87 IGF1R (0.40) ABL1BCRSYKAIMP2IKBKE
SCHEMBL1098894 0.87 SYK (0.40) ABL1BCRSYKAIMP2IKBKE
SCHEMBL14845405 0.86 ABL1 (0.41) ABL1BCRSYKAIMP2IKBKE
SCHEMBL4752216 0.85 IGF1R (0.39) ABL1BCRSYKAIMP2IKBKE
SCHEMBL18532076 0.85 ABL1 (0.39) ABL1BCRSYKAIMP2IKBKE

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008140419-A2 PYRIDYL SUBSTITUTED PYRIMIDINE DERIVATIVES S*BIO PTE LTD (SG) 2008-11-20 WO disclosed