SCHEMBL28004247

SCHEMBL28004247

CCc1c(COC)nc(N2CCCC2c2ccc(CN)cc2)nc1Nc1ncc(C#N)s1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.34

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
SCHEMBL16754710 0.92 KDR (0.36) KDR
SCHEMBL16610857 0.92 KDR (0.36) KDR
SCHEMBL28003791 0.88 KDR (0.36) KDR
SCHEMBL28003796 0.83 KDR (0.37) KDR
SCHEMBL28003915 0.83 KDR (0.37) KDR
SCHEMBL16610807 0.80 KDR (0.38) KDR
SCHEMBL16772657 0.80 KDR (0.38) KDR
SCHEMBL16611019 0.76 KDR (0.38) KDR
SCHEMBL28003809 0.76 CFB (0.32)
SCHEMBL16772652 0.75 KDR (0.37) KDR

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
CN-104470918-A Aromatic heterocyclic derivative and pharmaceutical NIPPON SHINYAKU CO LTD 2015-03-25 CN claimed
CN-104470918-A Aromatic heterocyclic derivative and pharmaceutical NIPPON SHINYAKU CO LTD 2015-03-25 CN disclosed