SCHEMBL3829449

SCHEMBL3829449

COC(=O)CCc1ccc(S(C)(=O)=NC(=O)c2cnc(N)c(C#Cc3cccc(NC(=O)c4occc4C)c3)c2)cc1.Cc1ccoc1C(=O)Nc1cccc(C#Cc2cc(C(=O)O)cnc2N)c1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 0.73
PDGFRB P09619 15/20 0.73

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
SCHEMBL835107 0.97 KDR (0.76) KDRPDGFRB
SCHEMBL834139 0.92 KDR (0.76) KDRPDGFRB
SCHEMBL835877 0.86 KDR (0.72) KDRPDGFRB
SCHEMBL16782148 0.84 KDR (1.00) KDRPDGFRB
SCHEMBL16782123 0.84 KDR (1.00) KDRPDGFRB
SCHEMBL16782017 0.84 KDR (1.00) KDRPDGFRB
SCHEMBL834823 0.84 KDR (0.57) KDRPDGFRB
SCHEMBL11949578 0.84 KDR (0.80) KDRPDGFRB
SCHEMBL17554532 0.83 KDR (0.88) KDRPDGFRB
SCHEMBL16782065 0.83 KDR (1.00) KDRPDGFRB

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-2099757-A2 SULFOXIMINES AS KINASE INHIBITORS Allergan, Inc. (US) 2009-09-16 EP disclosed
WO-2008061236-A2 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2008-05-22 WO disclosed