SCHEMBL13887331

SCHEMBL13887331

CCOc1cc2c(cc1OCC)-c1n[nH]c(NCc3ccccc3CC(F)F)c1C2

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EIF2AK1 Q9BQI3 9/20 0.42
PDGFRB P09619 1/20 0.36
CHEK1 O14757 8/20 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
SCHEMBL4040110 0.87 EIF2AK1 (0.44) EIF2AK1PDGFRBCHEK1
SCHEMBL4052068 0.85 EIF2AK1 (0.58) EIF2AK1PDGFRBCHEK1
SCHEMBL4041882 0.85 EIF2AK1 (0.56) EIF2AK1PDGFRBCHEK1
SCHEMBL4053015 0.84 EIF2AK1 (0.46) EIF2AK1PDGFRBCHEK1
SCHEMBL4040936 0.84 EIF2AK1 (0.52) EIF2AK1PDGFRBCHEK1
SCHEMBL4046433 0.80 EIF2AK1 (0.42) EIF2AK1PDGFRBCHEK1
SCHEMBL4044259 0.79 EIF2AK1 (0.54) EIF2AK1PDGFRBCHEK1
SCHEMBL4041028 0.78 EIF2AK1 (0.67) EIF2AK1PDGFRBCHEK1
SCHEMBL4044469 0.77 EIF2AK1 (0.55) EIF2AK1PDGFRBCHEK1
SCHEMBL4045489 0.76 EIF2AK1 (0.68) EIF2AK1PDGFRBCHEK1

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
EP-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP disclosed