SCHEMBL13753045

SCHEMBL13753045

CCCNC(=O)c1ccc(Nc2nc(C3C=NN(CCN4CCOCC4)C3)cc3cc[nH]c(=O)c23)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 10/20 0.46
CD274 Q9NZQ7 1/20 0.43
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL13752964 0.91 ZAP70 (0.46) ZAP70CD274PDGFRBPDGFRA
SCHEMBL13753060 0.87 ZAP70 (0.42) ZAP70PDGFRBPDGFRA
SCHEMBL13753067 0.87 ZAP70 (0.44) ZAP70PDGFRBPDGFRA
SCHEMBL13753050 0.81 AURKA (0.40) ZAP70PDGFRBPDGFRA
SCHEMBL13752991 0.81 ZAP70 (0.48) ZAP70
SCHEMBL1050113 0.80 ZAP70 (0.52) ZAP70CD274PDGFRBPDGFRA
SCHEMBL13753084 0.79 CD274 (0.54) ZAP70CD274PDGFRBPDGFRA
SCHEMBL13753064 0.77 ZAP70 (0.46) ZAP70
SCHEMBL1047731 0.77 ZAP70 (0.67) ZAP70CD274MEN1KMT2A
SCHEMBL1047007 0.77 ZAP70 (0.62) ZAP70CD274PDGFRBPDGFRAKMT2A

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-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO disclosed