SCHEMBL3476804

SCHEMBL3476804

Cc1ccoc1C(=O)Nc1cccc(C#Cc2cncc(C(=O)N=[S@@](=O)(CCC[NH])c3ccccc3)c2)c1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 0.72
PDGFRB P09619 12/20 0.72

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
SCHEMBL3477156 1.00 KDR (0.72) KDRPDGFRB
SCHEMBL847916 0.93 KDR (0.82) KDRPDGFRB
SCHEMBL836777 0.93 KDR (0.82) KDRPDGFRB
SCHEMBL848442 0.93 KDR (0.72) KDRPDGFRB
SCHEMBL836145 0.93 KDR (0.72) KDRPDGFRB
SCHEMBL848359 0.93 KDR (0.72) KDRPDGFRB
SCHEMBL833243 0.93 KDR (0.72) KDRPDGFRB
SCHEMBL15810249 0.90 KDR (0.66) KDRPDGFRB
SCHEMBL834833 0.90 KDR (0.68) KDRPDGFRB
SCHEMBL834758 0.90 KDR (0.70) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010078393-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2010-07-08 WO disclosed
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